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304846814

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29.60,52.41,61.81,69.60,73.40,75.64,103.75,118.37,120.66,123.17,131.27,
134.33,157.69,166.75
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304846814: 金币+20 2013-01-09 20:30:43
1 .     Sulfatricalysine A
C14H18O11S     相似度:64.2%
Chemical & Pharmaceutical Bulletin          2011          59(1)          72-77
Tricalysionoside A, a Megastigmane Gentiobioside, Sulfatricalysines A-F, and Tricalysiosides X-Z, ent-Kaurane Glucosides, from the Leaves of Tricalysia dubia
Junko SHITAMOTO, Sachiko SUGIMOTO, Katsuyoshi MATSUNAMI, Hideaki OTSUKA,Takakazu SHINZATO, and Yoshio TAKEDA
Structure      13C NMR   碳谱模拟图

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2 .     4'-O-β-D-glucosyl-cis-p-coumaric acid
    相似度:57.1%
Phytochemistry          1996          42          81-87
4'-O-β-D-glucosyl-cis-p-coumaric acid—a natural constituent of Sphagnum fallax cultivated in bioreactors
Susanne Rasmussen, Christian Wolff, Hansjörg Rudolph
Structure      13C NMR   碳谱模拟图

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3 .     2-Hydroxy-3-methoxybenzoic acid glucose ester
C14H18O9     相似度:57.1%
Phytochemistry          1996          41          309-312
A flavone C-glycoside and an aromatic glucoside from Gentiana species
Shih-Hsien Kuo, Ming-Hong Yen, Mei-Ing Chung, Chun-Nan Lin
Structure      13C NMR   碳谱模拟图

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4 .     methyl-N-(3-carbamoylpropionyl)anthranilate
C12H14N2O4     相似度:57.1%
Korean Journal of Pharmacognosy          1989          20(1)          6-9
Studies on Korean Aconitum Species(V). -On the Chemical Constituents of Aconitum pseudolaeve var. erectum-
Lee, Hyun-Sun; Chung, Bo-Sup
Structure      13C NMR   碳谱模拟图

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5 .     methyl 2-(2-Aminophenoxy)benzoate
C14H13NO3     相似度:57.1%
Journal of Heterocyclic Chemistry          2006          43          1031-1035
Dibenzo-fused seven-membered nitrogen heterocycles by a tandem reduction-lactamization reaction
Richard A. Bunce and James E. Schammerhorn
Structure      13C NMR   碳谱模拟图

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6 .     Compound 6
C16H15BrN4O5     相似度:57.1%
Bioorganic & Medicinal Chemistry Letters          2010          20          5979-5983
A novel arylethynyltriazole acyclonucleoside inhibits proliferation of drug-resistant pancreatic cancer cells
Menghua Wang, Yi Xia, Yuting Fan, Palma Rocchi, Fanqi Qu, Juan L. Iovanna, Ling Peng
Structure      13C NMR   碳谱模拟图

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7 .     Compound 6
    相似度:57.1%
Bioorganic & Medicinal Chemistry Letters          1991          1          197-200
Stereospecific Chemoenzymatic systhesis of galactopyranosyl-L-serine
Danièle Cantacuzène, Sandra Attal, Sylvie Bay
Structure      13C NMR   碳谱模拟图

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8 .     2-(3'-O-β-D-Glucopyranosyl-4'-hydroxyphenyl)-ethanol
    相似度:57.1%
Archives of Pharmacal Research          2008          31          983-988
Terpene and phenolic constituents of Lactuca indica L.
Ki Hyun Kim, Kyu Ha Lee, Sang Un Choi, Young Ho Kim and Kang Ro Lee
Structure      13C NMR   碳谱模拟图

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9 .     4-O-β-D-Glucopyranosyl-trans-p-coumarate
C15H17O8     相似度:57.1%
Tetrahedron Letters          2002          43          7655-7658
A novel leaf-movement inhibitor of a nyctinastic weed, Sesbania exaltata Cory, designed on a naturally occurring leaf-opening substance and its application to a potential, highly selective herbicide
Noboru Takada, Eisuke Kato, Katsuhiro Ueda, Shosuke Yamamura, Minoru Ueda
Structure      13C NMR   碳谱模拟图

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10 .     4-O-β-D-Galactopyranoyl-trans-p-coumarate
C15H17O8     相似度:57.1%
Tetrahedron Letters          2002          43          7655-7658
A novel leaf-movement inhibitor of a nyctinastic weed, Sesbania exaltata Cory, designed on a naturally occurring leaf-opening substance and its application to a potential, highly selective herbicide
Noboru Takada, Eisuke Kato, Katsuhiro Ueda, Shosuke Yamamura, Minoru Ueda
Structure      13C NMR   碳谱模拟图

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11 .     methyl 4-bromo-6-ethoxybiphenyl-2-carboxylate
C16H15BrO3     相似度:57.1%
European Journal of Organic Chemistry          2010                   2954-2970
An Efficient Synthesis of Substituted meta-Halophenols and Their Methyl Ethers: Insight into the Reaction Mechanism
Faiz Ahmed Khan and Sumit Choudhury
Structure      13C NMR   碳谱模拟图

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12 .     juglanoside B
C16H20O8     相似度:56.2%
Chemical & Pharmaceutical Bulletin          2004          52(5)          566-569
New α-Tetralonyl Glucosides from the Fruit of Juglans mandshurica
Lijuan LIU,Wei LI,Kazuo KOIKE, Shujie ZHANG,and Tamotsu NIKAIDO
Structure      13C NMR   碳谱模拟图

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13 .     frutescinol acetate
    相似度:56.2%
Phytochemistry          1997          45          963-967
Biological activities of some Argyranthemum species
Antonio G. Gonzalez, Rafael Estevez-Reyes, Ana Estevez-Braun, Angel G. Ravelo, Ignacio A. Jimenez, Isabel L. Bazzocchi, Marcelino A. Aguilar, Laila Moujir
Structure      13C NMR   碳谱模拟图

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14 .     2-acetyl-3-hydroxy-5-(prop-1-ynyl)thiophen 3-O-β-D-glucopyranoside
C15H18O7S     相似度:53.3%
Journal of Asian Natural Products Research          2011          Vol.13,No.9          845-850
Chemical constituents from Eupatorium chinense
Wen-Jing Wang, Ying Wang, Qin-Wen Zhang, Xiao-Qi Zhang, Ting-Ting Yang, Yi Dai, Lei Wang, Lei-Hong Zhang and Wen-Cai Ye
Structure      13C NMR   碳谱模拟图

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15 .     compound 9
C19H19NO2     相似度:53.3%
Heterocycles          2005          65          2871-2884
Stereoselective Functionalization of Alkenyl-β-lactams
Luigino Troisi,* Emanuela Pindinelli, Luisella De Vitis, Catia Granito, and Ludovico Ronzini
Structure      13C NMR   碳谱模拟图

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16 .     dehydroxybisdethiobis(methylthio)gliotoxin
C15H20N2O3S2     相似度:53.3%
The Journal of Antibiotics          2006          59          248-250
A New Antibacterial Dioxopiperazine Alkaloid Related to Gliotoxin from a Marine Isolate of the Fungus Pseudallescheria FREE
Xifeng Li, Se-Kwon Kim, Ki Wan Nam, Jung Sook Kang, Hong Dae Choi and Byeng Wha Son
Structure      13C NMR   碳谱模拟图

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17 .     25,27-bis(N-trifluoromethanesulfonyl carbamoylmethoxy)calix[4]arene-1,3-crown-4
C40H38N2O12S2F6     相似度:53.3%
Tetrahedron          2012          68          2233-2244
Di-ionizable calix[4]arene-1,3-crown-4 ligands in 1,3-alternate, cone, and partial-cone conformations: synthesis and metal ion extractions
Yanfei Yang, Xiaodan Cao, David W. Purkiss, John F. Cannon, Richard A. Bartsch
Structure      13C NMR   碳谱模拟图

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18 .     2,6-dimethyl-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-diethylcarboxylate
C26H29NO6     相似度:53.3%
Molecules          2012          17          2643-2662
A Microwave-Assisted Bismuth Nitrate-Catalyzed Unique Route Toward 1,4-Dihydropyridines
Debasish Bandyopadhyay, Stephanie Maldonado and Bimal K. Banik
Structure      13C NMR   碳谱模拟图

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19 .     TA-3037A methyl ester
    相似度:53.3%
The Journal of Antibiotics          1992          45          1122-1124
TA-3037A, A NEW INHIBITOR OF GLUTATHIONE S-TRANSFERASE, PRODUCED BY ACTINOMYCETES II. STRUCTURE DETERMINATION
DAISUKE KOMAGATA, YASUHIKO MURAOKA, RYUICHI SAWA, YOSHIKAZU TAKAHASHI, HIROSHI NAGANAWA, TSUTOMU SAWA, TOMIO TAKEUCHI
Structure      13C NMR   碳谱模拟图

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20 .     2-acetyl-5-(prop-1-ynyl)-thiophene-3-ol β-D-glucoside
C15H18O7S     相似度:53.3%
Natural Product Communications          2011          6          361-366
Thiophene, Furans, and Related Aromatic Compounds from Eupatorium heterophyllum
Yoshinori Saito, Koji Takiguchi, Xun Gong, Chiaki Kuroda and Motoo Tori
Structure      13C NMR   碳谱模拟图

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21 .     4-[(3-methyl-2-butenyl)oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic acid methyl ester
    相似度:52.9%
Journal of Natural Products          1997          60          804-805
Naphthalenone and Phthalide Metabolites from Lachnum papyraceum
R. Shan, M. Stadler, H. Anke, and O. Sterner
Structure      13C NMR   碳谱模拟图

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22 .     codiacyanoglucoside
C10H15NO6     相似度:50%
Phytochemistry          2008          69          2815-2819
In vitro anti-influenza screening of several Euphorbiaceae species: Structure of a bioactive Cyanoglucoside from Codiaeum variegatum
Jorge Eduardo Forero, Liliana Avila, Natalia Taborda, Paula Tabares, Albeiro López, ernando Torres,Winston Quiñones, María A. Bucio, Yolanda Mora-Pérez, Maria Teresa Rugeles,Pedro Joseph-Nathan, Fernando Echeverri
Structure      13C NMR   碳谱模拟图

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23 .     acetophenone-2-O-β-D-glucopyranoside
C14H18O7     相似度:50%
Phytochemistry          2005          66          2381-2387
Phenolic and terpenoid compounds from Chione venosa (SW.) URBAN var. venosa (Bois Bandé)
Angelika Lendl, Ingrid Werner, Sabine Glasl, Christa Kletter, Pavel Mucaji,Armin Presser, Gottfried Reznicek, Johann Jurenitsch, David W. Taylor
Structure      13C NMR   碳谱模拟图

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24 .     7-deoxynarciclasine
C14H13NO6     相似度:50%
Journal of Natural Products          2006          69          7-13
Isolation and Structural Modification of 7-Deoxynarciclasine and 7-Deoxy-trans-Dihydronarciclasine
George R. Pettit, Stephen A. Eastham, Noeleen Melody, Brian Orr, Delbert L. Herald, Jane McGregor, John C. Knight, Dennis L. Doubek, George R. Pettit, Lynnette C. Garner, and Joy A. Bell
Structure      13C NMR   碳谱模拟图

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25 .     hostmaniane
C13H18O5     相似度:50%
Journal of Natural Products          2004          67          1783-1788
Benzoic Acid Derivatives from Piper Species and Their Fungitoxic Activity against Cladosporium cladosporioides and C. sphaerospermum
Joo Henrique G. Lago, Clcio Sousa Ramos, Diego Campos C. Casanova, Andreia de A. Morandim, Debora Cristina B. Bergamo, Alberto J. Cavalheiro, Vanderlan da S.Bolzani, Maysa Furlan, Elsie F. Guimares, Maria Claudia M. Young, and Massuo J. Kato
Structure      13C NMR   碳谱模拟图

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26 .     cochinchiside B methyl ether
    相似度:50%
Journal of Natural Products          2004          67          659-663
Isolation of Salicin Derivatives from Homalium cochinchinensis and Their Antiviral Activities
Tsutomu Ishikawa, Kaori Nishigaya, Kazuko Takami, Hide Uchikoshi, Ih-Sheng Chen, and Ian-Lih Tsai
Structure      13C NMR   碳谱模拟图

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27 .     methyl 4-(1,1-dimethyl-2-propynyloxy)benzoate
    相似度:50%
Journal of Natural Products          2003          66          169-176
Synthesis and Structure−Phytotoxicity Relationships of Acetylenic Phenols and Chromene Metabolites,and Their Analogues, from the Grapevine Pathogen Eutypa lata
Leverett R. Smith, Noreen Mahoney, and Russell J. Molyneux
Structure      13C NMR   碳谱模拟图

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28 .     methyl 4-hydroxy-3-(3'-methyl-2'-butenyl)benzoate
C13H16O3     相似度:50%
Journal of Natural Products          1997          60          282-284
Methyl 4-Hydroxy-3-(3'-methyl-2'-butenyl)benzoate, Major Insecticidal Principle from Piper guanacastensis
Rogelio Pereda-Miranda
Structure      13C NMR   碳谱模拟图

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29 .     (Z )-8-β-D-glucopyranosyloxycinnamic acid
    相似度:50%
Phytochemistry          2000          55          67-75
Phenolic glycosides of forage legume Onobrychis viciifolia
Yinrong Lu, Yan Sun, L. Yeap Foo, W.C. McNabb, A.L. Molan
Structure      13C NMR   碳谱模拟图

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30 .     1-hydroxy-3-methoxyxanthone
    相似度:50%
Chemical & Pharmaceutical Bulletin          1997          45          1823-1827
Hepatoprotective Principles of Swertia japonica MAKINO on D-Galactosamine/Lipopolysaccharide-Induced Liver Injury in Mice
Koji HASE,Jianxin LI,Purusotam BASNET,Quanbo XIONG,Shuichi TAKAMURA,Ttuneo NAMBA and Shigetoshi KADOTA
Structure      13C NMR   碳谱模拟图

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31 .     3-(hydroxyisopropyl)pentane-1,4-diol-1-O-β-D-glucoside
C14H28O8     相似度:50%
Chemical & Pharmaceutical Bulletin          1996          44          1797-1800
10-Carboxyloganin, Normonoterpenoid Gluosides and Dinormonoterpenoid Glucosides from the Leaves of Cerbera manghas(Studies on Cerbera. 10)
Fumiko ABE and Tatsuo YAMAUCHI
Structure      13C NMR   碳谱模拟图

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32 .     edulinine
    相似度:50%
Natural Product Research          2002          16          95-100
In Vivo and In Vitro Production of Alkaloids by Haplophyllum Patavinum
L. Puricelli; G. Innocenti; G. Delle Monache; R. Caniato; R. Filippini; E. M. Cappelletti
Structure      13C NMR   碳谱模拟图

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33 .     trans-p-coumaric acid-4-O-β-D-glucopyranoside
    相似度:50%
China Journal of Chinese Materia Medica          2009          34          1235-1237
Studies on chemical constituents from bee-collected rape pollen
Guo Juanli, Zhang Peicheng, Zhang Zhi wu
Structure      13C NMR   碳谱模拟图

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34 .     3,5-dihydroxyphenethylalcohol 3-O-β-D-glucopyranoside
    相似度:50%
China Journal of Chinese Materia Medica          2009          34          2895-2897
Water-soluble chemical constituents from fruits of Phellodendron chinense var. glabriusculum
YAN Chen, WANG Ye, HAO Xiaojiang
Structure      13C NMR   碳谱模拟图

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35 .     4-O-β-D-glucopyranosylbenzoate
    相似度:50%
China Journal of Chinese Materia Medica          2008          33          1021-1023
Water-soluble constituents from roots of Capparis tenera
SU Dongmin, TANG Wenzhao, YU Shishan, LIU Yunbao, QU Jing, YU Dequan
Structure      13C NMR   碳谱模拟图

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36 .     N-Methylnorbelladine
    相似度:50%
Phytochemistry          1998          49          1037-1047
Biosynthesis of the amaryllidaceae alkaloid Galanthamine
Jörg Eichhorn, Takeshi Takadα, Yasuyuki Kitα, Meinhart H. Zenk
Structure      13C NMR   碳谱模拟图

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37 .     lemairin
C8H10O3     相似度:50%
Journal of Natural Products          1980          Vol 43          411-413
Lemairin, A New Glucoside From the Mexican Cactus, Pachycereus weberi
Rachel Mata, Jerry L. McLaughlin
Structure      13C NMR   碳谱模拟图

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38 .     gentiopicroside
C16H20O9     相似度:50%
Journal of Natural Products          1980          Vol 43          649-707
Iridoids. A Review
Leticia J. El-Naggar, Jack L. Beal
Structure      13C NMR   碳谱模拟图

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39 .     cis-syringin
    相似度:50%
Acta Pharmaceutica Sinica          2007          Vol 42          757-761
The chemical constituents of Polygala hongkongensis Hemsl
WU Jian-feng;; CHEN Si-bao; CHEN Shi-lin; TU Peng-fei
Structure      13C NMR   碳谱模拟图

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40 .     methyl 3-O-(β-D-glucopyranosyl) gallate
C14H18O10     相似度:50%
Acta Pharmaceutica Sinica          2000          Vol 35          67-69
CHEMICAL CONSTITUENTS OF GERANIUM DAHURICUM DC
Lei Haimin; Wei Luxue and Lin Wenhan
Structure      13C NMR   碳谱模拟图

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41 .     Musizin-8-O-β-D-glucopyranoside
    相似度:50%
Natural Product Sciences          2005          11          75-78
A New Acetophenone of Aerial Parts from Rumex aquatica
Yoon, Hwan-Min; Park, Ji-Yeun; Oh, Mi-Hyun; Kim, Kyung-Hee; Han, Jung-Hoon; Whang, Wan-Kyunn
Structure      13C NMR   碳谱模拟图

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42 .     (Z)-4-O-β-D-Glucopyranosyl-p-coumaric acid
    相似度:50%
Phytochemistry          1995          38          427-432
Monoterpene, chromone and coumarin glucosides of Diplolophium buchananii
John Lemmich
Structure      13C NMR   碳谱模拟图

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43 .     secologanol
    相似度:50%
Phytochemistry          1994          35          705-711
Fontanesioside and 5-hydroxysecologanol from Fontanesia phillyreoides
Soren Damtoft, Henrik Franzyk, Soren Rosendal Jensen
Structure      13C NMR   碳谱模拟图

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44 .     1-demethyl-8-demethoxyacutifolin
    相似度:50%
Phytochemistry          1992          31          3617-3619
Quinolone alkaloids from Zanthoxylum acutifolium
Mara S.P. Arruda, João B. Fernandes, M.Fátima das G.F. da Silva, Paulo C. Vieira, José R. Pirani
Structure      13C NMR   碳谱模拟图

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45 .     N-(3-Chlorophenyl)-2-(3-fluoro-4-nitrophenoxy)acetamide
C14H10ClFN2O4     相似度:50%
Molecules          2012          17          2248-2258
Synthesis and Biological Evaluation of 2-(3-Fluoro-4-nitro phenoxy)-N-phenylacetamide Derivatives as Novel Potential Affordable Antitubercular Agents
Wei Ang,Yan-Ni Lin,Tao Yang,Jian-Zhong Yang ,Wei-Yi Pi ,Ying-Hong Yang ,You-Fu Luo ,ong Deng and Yu-Quan Wei
Structure      13C NMR   碳谱模拟图

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46 .     compound 2
    相似度:50%
Tetrahedron Letters          2000          41          8311-8315
The cooperative effect of electrostatic and hydrophobic forces in the complexation of cationic molecules by a water-soluble resorcin[4]arene derivative
Seong Jin Park, Jong-In Hong
Structure      13C NMR   碳谱模拟图

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47 .     taxiphyllin
    相似度:50%
Phytochemistry          1988          27          2581-2589
Chemotaxonomy of the acanthaceae. Iridoids and quaternary amines
Henrik Fischer W. Jensen,Søren Rosendal Jensen,Bent Juhl Nielsen
Structure      13C NMR   碳谱模拟图

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48 .     salireposide
    相似度:50%
Phytochemistry          1988          27          3259-3261
Phaseoloidin,a homogentisic acid glucoside from Entada phaseoloides
Arun K. Barua,Manas Chakrabarty,Pran K. Datta,Sarmila Ray
Structure      13C NMR   碳谱模拟图

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49 .     allyl 2-allyloxybenzoate
    相似度:50%
Journal of Heterocyclic Chemistry          2008          45          435-443
Synthesis of 1,3-oxazole and benzimidazole pendant groups from polyacrylonitrile hydrolysis products
Isabel N. Vega,Leonardo Sánchez and Norma D'Accorso
Structure      13C NMR   碳谱模拟图

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50 .     2-allyloxybenzoic acid
    相似度:50%
Journal of Heterocyclic Chemistry          2008          45          435-443
Synthesis of 1,3-oxazole and benzimidazole pendant groups from polyacrylonitrile hydrolysis products
Isabel N. Vega,Leonardo Sánchez and Norma D'Accorso
Structure      13C NMR   碳谱模拟图

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51 .     (+)-(7S,8S)-syringylglycero-8-O-β-D-glucopyranoside
    相似度:50%
China Journal of Chinese Materia Medica          2010          35          456-467
Constituents from a water-soluble portion of ethanolic extract of Iodes cirrhosa
GAN Maoluo; ZHU Chenggen; ZHANG Yanling; ZI Jiachen; SONG Weixia; YANG Yongchun; SHI Jiangong
Structure      13C NMR   碳谱模拟图

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52 .     (E)-methyl 2-((1,3-dioxoisoindolin-2-yloxy)methyl)-3-(furan-2-yl)acrylate
C17H13NO6     相似度:50%
Heterocycles          2009          78          3053-3064
Efficient Synthesis of 4-Substituted 4,5-Dihydroisoxazol-3-ols from Morita-Baylis-Hillman Bromides
Weihui Zhong, Yongliang Liu, and Baoming Guo
Structure      13C NMR   碳谱模拟图

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53 .     ethyl 2,3-dihydro-1-benzoxepine-4-carboxylate
    相似度:50%
Heterocycles          2007          71          445-452
Efficient Preparation of Medium Ring Oxygen Heterocycles
Atsuko Nishiguchi, Tomomi Ikemoto, Tatsuya Ito, Shotaro Miura, and Kiminori Tomimatsu
Structure      13C NMR   碳谱模拟图

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54 .     ethyl 7-methoxy-2,3-dihydro-1-benzoxepine-4-carboxylate
C14H16O4     相似度:50%
Heterocycles          2007          71          445-452
Efficient Preparation of Medium Ring Oxygen Heterocycles
Atsuko Nishiguchi, Tomomi Ikemoto, Tatsuya Ito, Shotaro Miura, and Kiminori Tomimatsu
Structure      13C NMR   碳谱模拟图

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55 .     compound 13
C20H20NO2Cl     相似度:50%
Heterocycles          2005          65          2871-2884
Stereoselective Functionalization of Alkenyl-β-lactams
Luigino Troisi,* Emanuela Pindinelli, Luisella De Vitis, Catia Granito, and Ludovico Ronzini
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




56 .     3-(2-methyloxiranyl)-1,4-diphenyl-3-vinylazetidin-2-one
C20H19NO2     相似度:50%
Heterocycles          2005          65          2871-2884
Stereoselective Functionalization of Alkenyl-β-lactams
Luigino Troisi,* Emanuela Pindinelli, Luisella De Vitis, Catia Granito, and Ludovico Ronzini
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




57 .     Compound 2
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          1991          1          197-200
Stereospecific Chemoenzymatic systhesis of galactopyranosyl-L-serine
Danièle Cantacuzène, Sandra Attal, Sylvie Bay
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




58 .     4,4-Dibromo-2-phenylisoquinoline-1,3-(2H,4H)dione
C15H9Br2NO2     相似度:50%
Molecules          2010          15          8827-8840
Microwave Assisted Synthesis of Some New Heterocyclic Spiro-Derivatives with Potential Antimicrobial and Antioxidant Activity
Mohamed Mohamed Youssef and Mahmoud Ahmed Amin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




59 .     (2S,5S,6S)-6-(1,3-dioxoisoindolin-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
C17H16N2O5S     相似度:50%
Magnetic Resonance in Chemistry          2007          45          819-829
Comparison of various density functional methods for distinguishing stereoisomers based on computed 1H or 13C NMR chemical shifts using diastereomeric penam β-lactams as a test set (pages 819–829)
Keith W. Wiitala, Christopher J. Cramer and Thomas R. Hoye
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




60 .     gentiaphyllide-E
    相似度:50%
Chinese Traditional and Herbal Drugs          2010          41          1242-1245
Non-iridoid constituents from roots of Gentiana straminea
WEI Shi-hu; YU Chang-yuan; LU Li-ming; CHEN Guang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




61 .     4-hydroxybenzyl-β-D-glucopyranoside
    相似度:50%
Chinese Traditional and Herbal Drugs          2006          37          1635-1637
天麻化学成分研究(Ⅱ)
王莉;王艳萍;肖红斌;徐青;梁鑫淼
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




62 .     加锡果宁
C16H21NO4     相似度:50%
Chinese Traditional and Herbal Drugs          2004          35          1336-1338
臭常山喹啉生物碱成分
冯煦,董云发,王鸣,赵友谊
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




63 .     liriodenrin
C34H46O18     相似度:50%
Chinese Journal of Natural Medicines          2010          8          199-201
Chemical Constituents from the Aerial Part of Peganum nigellastrum
YANG Fei; CHEN Rong; FENG Lin; LI Hai-Dao; ZHANG Hua; LIANG Jing-Yu
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




64 .     2-(d-arabino-1,2,3,4-tetrahydroxybut-1-yl)-5-phenylamino-1,3,4-thiadiazole
C12H15N3O4S     相似度:50%
Pharmazie          2003          58          367-371
Oxidative cyclization of D-fructose thiosemicarbazones to 2-amino-5-(D-arabino-1,2,3,4-tetrahydroxybut-1-yl)-1,3,4-thiadiazoles through carbon-carbon bond cleavage of the sugar chain
Shaban, M. A. E. - Mostafa, M. A. - Nasr, A. Z.
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




65 .     2-hydroxy-3-methoxybenzoicacid glucose ester
C14H18O9     相似度:50%
Archives of Pharmacal Research          1998          21          436-439
PAF antagonistic activity of 2-hydroxy-3-methoxybenzoic acid glucose ester from Gentiana scabra
Hoon Huh, Hye Kyong Kim and Hern-Ku Lee
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




66 .     compound 6b
C15H19O9K     相似度:50%
Tetrahedron Letters          2002          43          7545-7548
The biological significance of leaf-movement, an approach using a synthetic inhibitor of leaf-closure
Minoru Ueda, Takanori Sugimoto, Yoshiyuki Sawai, Shosuke Yamamura
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




67 .     compound 15
    相似度:50%
Tetrahedron Letters          2003          44          805-809
Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
Sung Kuk Kim, Wonbo Sim, Jacques Vicens, Jong Seung Kim
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




68 .     compound 8a
    相似度:50%
Tetrahedron Letters          2005          46          8711-8714
2-Nitrofurans as dienophiles in Diels-Alder reactions
Claudia Della Rosa, María N. Kneeteman, Pedro M.E. Mancini
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




69 .     gliotoxin
C13H14N2O4S2     相似度:50%
Chinese Pharmaceutical Journal          2011          46          569-575
Antitumor Metabolites from Fungus Aspergillus sydowi D2-6
REN Hong, CAO Xue-li, WANG Qiao-e, XV Chun-ming
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




70 .     3,5-dihydroxyphenethyl alcohol-3-O-β-D-glucopyranoside
    相似度:50%
Chinese Pharmaceutical Journal          2011          46          745-747
Chemical Constituents of Water Soluble Fraction of Trollius ledebouri Reichb
WU Li-zhen, XU Xu-dong, YANG Jun-shan
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




71 .     syringin
    相似度:50%
Journal of Shenyang Pharmaceutical University          2009          26          617-619
Constituents from root of Rhaponticum carthamoides (Willd.) Iljin.
HUANG Min-fang, LI Ning, NIHui, JIA Xiao-guang, LI Xian
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




72 .     syringin
    相似度:50%
Journal of Shenyang Pharmaceutical University          2006          23          15-17
Studies on the chemical constituents of the n-BuOH extract of Polygonum bistorta L.
LIU Xiao-qiu, LI Wei-wei, SHENG Ke-xin, LIU Jian, CHEN Fa-kui
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




73 .     2-(4-Methylphenoxy)benzoic acid
    相似度:50%
Archiv der Pharmazie          1998          331          177-192
Substituted Xanthones as Antimycobacterial Agents,Part 1: Synthesis and Assignment of 1H/13C NMR Chemical Shifts
Martina Pickert and Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




74 .     2-(2-Methylphenoxy)benzoic acid
    相似度:50%
Archiv der Pharmazie          1998          331          177-192
Substituted Xanthones as Antimycobacterial Agents,Part 1: Synthesis and Assignment of 1H/13C NMR Chemical Shifts
Martina Pickert and Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




75 .     3-(2-Carboxyphenoxy)benzonitrile
    相似度:50%
Archiv der Pharmazie          1998          331          177-192
Substituted Xanthones as Antimycobacterial Agents,Part 1: Synthesis and Assignment of 1H/13C NMR Chemical Shifts
Martina Pickert and Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




76 .     la tyrosinemie
    相似度:50%
Tetrahedron letters          1981          22          3583-3584
Structure du venusol, nouvelle substance, isole de Umbilicus pendulinus D.C.
Ariette Proliac, Michel Desage, Jean Favre-Bonvin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




77 .     1,4-Dimethyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid methyl ester
C13H13NO3     相似度:50%
Zeitschrift für Naturforschung B          2009          64          427-433
Triethyloxonium Tetrafluoroborate/1,2-Dimethoxyethane - a Versatile Substitute for Trimethyloxonium Tetrafluoroborate in O-Methylation Reactions
A. Ritter, H. Poschenrieder, and F. Bracher
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




78 .     compound 13
    相似度:50%
Acta Chemica Scandinavica          1976          30          743-748
Tobacco Chemistry. 40. Syntheses of (12R,13R)- and (12S,13S)-8,12-Epoxy-14-labden-13-ol and (13R)- and (13S)-8,13-Epoxy-14-labden-12-one, Four Tobacco Diterpenoids.
Wahlberg, Inger; Karlsson, Kerstin; Nishida, Toshiaki; Cheng, Kwok-Peng; Enzell, Curt R.; Berg, Jan-Erik; Pilotti, Anne-Marie
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




79 .     Scirpyrane D
C12H18O5     相似度:50%
European Journal of Organic Chemistry          2012                   2445-2452
α-Pyrones and Pyranes from the Plant Pathogenic Fungus Pestalotiopsis scirpina
Jian Li, Xianfu Wu, Gang Ding, Yu Feng, Xuejun Jiang, Liangdong Guo and Yongsheng Che
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




80 .     2-(7-hydroxy-4-oxo-4H-chromen-3-yl)isoindoline-1,3-dione
C17H9NO5     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          249-266
The synthesis and evaluation of flavone and isoflavone chimeras of novobiocin and derrubone
Jared R. Mays, Stephanie A. Hill, Justin T. Moyers, Brian S.J. Blagg
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




81 .     cis-2-(4'-chlorophenyl)-7-fluoro-4-hydroxy-2,3,4,5-tetrahydro-1(1H)-benzazepine
C16H15ClFNO     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          4721-4739
Synthesis, structural elucidation and in vitro antiparasitic activity against Trypanosoma cruzi and Leishmania chagasi parasites of novel tetrahydro-1-benzazepine derivatives
Sandra Gómez-Ayala, Julián A. Castrillón, Alirio Palma, Sandra M. Leal, Patricia Escobar, Alí Bahsas
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




82 .     gentiopicroside
    相似度:50%
Natural Product Research and Development          2007          19          247-249
Chemical Constituents of Verbena officinalis L.(Ⅱ)
TIAN Jing; ZHAO Yi-min; LUAN Xin-hui
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




83 .     [1-(4'-fluorophenyl)-1,2,3-triazol-4-yl]methyl α-D-mannopyranoside
C15H18FN3O6     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          6454-6473
Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists
Oliver Schwardt, Said Rabbani, Margrit Hartmann, Daniela Abgottspon, Matthias Wittwer, Simon Kleeb, Adam Zalewski, Martin Smieško, Brian Cutting, Beat Ernst
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




84 .     methyl 1-(2,3-dichlorophenyl)-3-(methoxymethyl)-4,5-dioxopyrrolidine-3-carboxylate
C14H13Cl2NO5     相似度:50%
Helvetica Chimica Acta          2011          94          2087-2091
Efficient Synthesis of Tetrahydropyrimidines and Pyrrolidines by a Multicomponent Reaction of Dialkyl Acetylenedicarboxylates (=Dialkyl But-2-ynedioates), Amines, and Formaldehyde in the Presence of Iodine as a Catalyst (pages 2087–2091)
Biswanath Das, Boddu Shashi Kanth, Digambar Balaji Shinde and Vinod T. Kamble
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




85 .     N-{1-[2'-(3''-methoxypropylamino)-2'-oxoethyl]-2-oxo-1,2-dihydropyridin-3-yl}benzamide
C18H21N3O4     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          4724-4733
Glycogen phosphorylase inhibitory effects of 2-oxo-1,2-dihydropyridin-3-yl amide derivatives
N. David Karis, Wendy A. Loughlin, Ian D. Jenkins, Peter C. Healy
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




86 .     methyl 1-acetylisoquinoline-4-carboxylate
C13H11NO3     相似度:50%
Russian Journal of Organic Chemistry          2010          46          1399-1402
Synthesis of 1-acylisoquinolines from isoquinoline, alcohols, and CCl4 catalyzed by iron complexes
R. I. Khusnutdinov, A. R. Baiguzina and R. R. Mukminov
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




87 .     4-oxo-6-(pyrrolidin-1-yl)-2-trifluoromethyl-2-(4-trifluoromethylphenyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
C17H13F6N3OS     相似度:50%
Russian Journal of Organic Chemistry          2007          43          553-558
Heterocyclizations of functionalized heterocumulenes with C,N-, C,O-, and C,S-binucleophiles: VII. Reaction of 1-chloroalkyl isocyanates with N,N-disubstituted cyanothioacetamides. A new synthetic route to 6-dialkylamino-4-oxo-3,4-dihydro-2 H -1,3-thiazin
V. A. Sukach, N. G. Chubaruk and M. V. Vovk
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




88 .     compound 26
    相似度:50%
Tetrahedron          2012          68          3512-3518
Ligand design for dual enantioselective control in Cu-catalyzed asymmetric conjugate addition of R2Zn to cyclic enone
Misato Yoshimura, Naoatsu Shibata, Miaki Kawakami, Satoshi Sakaguchi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




89 .     hydroxysydonic acid
C15H22O5     相似度:50%
Agricultural and Biological Chemistry          1978          42          37-40
Two New Metabolites, Sydonic Acid and Hydroxysydonic Acid, from Aspergillus sydowi
Takashi HAMASAKI, Kouzou NAGAYAMA, Yuichi HATSUDA
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




90 .     2-(8-nitronaphthalen-2-yloxy)ethanol
C12H11NO4     相似度:50%
European Journal of Organic Chemistry          2011                   3238-3245
Bidentate Lewis Acids for the Activation of 1,2-Diazines – A New Mode of Catalysis
Simon N. Kessler, Markus Neuburger and Hermann A. Wegner
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




91 .     (2E,4Z)-ethyl-5-chloro-5-(3-chlorophenyl)-2-(nitrooxymethyl)penta-2,4-dienoate
C14H13Cl2NO5     相似度:50%
Heterocycles          2012          85          43-56
Unexpected Tandem Reaction of New Type Morita-Baylis-Hillman Adducts Promoted by [Hmim]HSO4/NaNO3 System
Weihui Zhong,* Guan Wang, and Kai Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




92 .     trifluoroethyl 2-hydroxy-5-methyl-1-naphthoic acid ester
C14H9O3F3     相似度:50%
Journal of the American Chemical Society          2007          129          7728-7729
Characterization of NcsB2 as a Promiscuous Naphthoic Acid/Coenzyme A Ligase Integral to the Biosynthesis of the Enediyne Antitumor Antibiotic Neocarzinostatin
Heather A. Cooke, Jian Zhang, Meghan A. Griffin, Koichi Nonaka, Steven G. Van Lanen, Ben Shen, and Steven D. Bruner
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




93 .     6-cyano-2,3-dihydro-2,2-dimethylspiro[4H-1-benzopyran-4,4'-imidazolidine]-2',5'-dione
C14H13N3O3     相似度:50%
Journal of Medicinal Chemistry          1993          36          1480-1487
Synthesis and biological activity of spirocyclic benzopyran imidazolone potassium channel openers
Robert C. Gadwood, Bharat V. Kamdar, Loretta A. Cipkus Dubray, Mark L. Wolfe, Michael P. Smith, William Watt, Stephen A. Mizsak, Vincent E. Groppi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




94 .     viridoside
C15H22O7     相似度:50%
Natural Product Communications          2008          3          53-56
Phenolic Glycosides from Phlomis lanceolata (Lamiaceae)
Hossein Nazemiyeh, Abbas Delazar, Mohammed-Ali Ghahramani, Amir-Hossein Talebpour,Lutfun Nahar and Satyajit D. Sarker
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




95 .     cornudoside
C14H16O8     相似度:50%
Planta Medica          2011          77          60-65
Antitubercular Resorcinol Analogs and Benzenoid C-Glucoside from the Roots of Ardisia cornudentata
Chun-Po Chang, Hsun-Shuo Chang, Chien-Fang Peng, Shiow-Ju Lee, Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




96 .     3-(1,1-Dimethylprop-2-ynyloxy)benzoic Acid Methyl Ester
C13H14O3     相似度:50%
Journal of Agricultural and Food Chemistry          2010          58          9476-9482
New Class of Algicidal Compounds and Fungicidal Activities Derived from a Chromene Amide of Amyris texana
Kumudini M. Meepagala, Kevin K. Schrader, Charles L. Burandt, David E. Wedge and Stephen O. Duke
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------




97 .     trans-Vaginoside [1-β-D-glucopyranosyl-2-(4'-hydroxyphenyl) (E)-ethene]
C14H18O7     相似度:50%
Journal of the Brazilian Chemical Society          1997          8          637-639
Two New Norphenylpropanoid Glucosides and Hemipholin from the Flowers of Ononis vaginalis.
Maged S. Abdel-Kader
Structure      13C NMR   碳谱模拟图
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