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haitee

新虫 (小有名气)

[求助] 求助:微谱数据库查询

碳谱数据:36.77,36.91,37.62,38.37,70.76,71.33,72.89,75.23,100.63,104.85,110.80,114.67,128.91,132.64,146.90,155.03,162.08,164.02,170.49,175.60
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497351125

金虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
haitee: 金币+12, 有帮助, 非常感谢。首先应助很及时。下面还有人应助了,分点分给他。 2012-11-16 16:01:05
查询结果:共查到21个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     7-epi-Zeaenol
C19H24O7     相似度:57.1%
Journal of Natural Products          2011          74          1126-1131
Resorcylic Acid Lactones with Cytotoxic and NF-κB Inhibitory Activities and Their Structure-Activity Relationships
Sloan Ayers, Tyler N. Graf, Audrey F. Adcock, David J. Kroll, Susan Matthew, Esperanza J. Carcache de Blanco, Qi Shen, Steven M. Swanson, Mansukh C. Wani, Cedric J. Pearce, and Nicholas H. Oberlies
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     compound 12
    相似度:52.3%
Phytochemistry          1991          30          3647-3651
Diarylheptanoids from rhizomes ofZingiber officinale
Hiroe Kikuzaki, Masayo Kobayashi, Nobuji Nakatani
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     scutelarein-7-O-β-D glucuronide
    相似度:52.3%
Chinese Traditional and Herbal Drugs          1998          29          798-800
Studies on the Chemical Constituents of Multiradiate Fleabane (Erigeron multiradiatus)
Zhang Yinjun; Li Liangqiong; Yang Peiquan; et al. (College of Pharmacy; West China University of Medical Sciences; Chengdu );
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     scutellarein 4'-methyl ether 7-O-β-glucuronopyranoside
C22H20O12     相似度:50%
Phytochemistry          2002          60          727-731
Scutellarein 4'-methyl ether glycosides as taxonomic markers in Teucridium and Tripora (Lamiaceae, Ajugoideae)
Renée J. Grayer, Nigel C. Veitch, Geoffrey C. Kite, Alan J. Paton,Philip J. Garnock-Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     chrysin 7-glucuronide
    相似度:50%
Phytochemistry          2002          61          433-437
Flavonoid glycosides from Centaurea pseudoscabiosa subsp.pseudoscabiosa from Turkey
Guido Flamini, Maria Pardini, Ivano Morelli, Kuddisi Ertugrul,Huseyin Dural, Yavuz Bagci, Mustafa Kargioglu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     glychionide A
C21H18O11     相似度:50%
Journal of Asian Natural Products Research          2005          7          677-680
Two new compounds from Glycyrrhiza glabra
JI-REN LI, YU-QI WANG and ZHEN-ZHI DENG
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     kaempferol 7-O-α-L-rhamnopyranoside
C21H20O10     相似度:50%
Natural Product Research          2007          21          418-425
Chemical composition and volatile constituents of Anthyllis barba-jovis
Luisa Pistelli; Cecilia Noccioli; Alessandra Bertoli; Giorgia Scapecchi; Donatella Potenza
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     wogonin-5-O-β-D-glucuronide methyl ester
C23H22O11     相似度:50%
China Journal of Chinese Materia Medica          2009          34          1097-1100
A new flavonoid glucoside from Huanglian jiedutang decoction
MA Zhaotang, YANG Xiuwei, ZHONG Guoyue
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     Rocymosin B
C21H24O10     相似度:50%
Phytochemistry          1993          32          1033-1036
Two polyphenol glycosides and tannins from Rosa cymosa
Takashi Yoshida, Feng Wei-Sheng, Takuo Okuda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     zeaenol
C19H24O7     相似度:50%
Phytochemistry          1992          31          1987-1990
Zearalenone derivatives produced by the fungus Drechslera portulacae
Fumio Sugawara, Kun-Woo Kim, Kimiko Kobayashi, Jun Uzawa, Shigeo Yoshida, Noboru Murofushi, Nobutaka Takahashi, Gary A. Strobel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     7-De-O-methylaciculatin
C21H20O8     相似度:50%
Journal of Natural Products          2012          75          198−201
Cytotoxic Apigenin Derivatives from Chrysopogon aciculatis
Chien-Chang Shen,Jing-Jy Cheng,Horng-Liang Lay,Szu-Yuan Wu,Ching-Li Ni,Che-Ming Teng,and Chien-Chih Chen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     7-O-α-L-鼠李吡喃糖基-山奈酚
    相似度:50%
Chinese Traditional and Herbal Drugs          2006          37          1147-1149
洋金花化学成分的研究(Ⅰ)
杨炳友;唐玲;太成梅;刘玉婕;匡海学
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     7-O-β-D-葡萄吡喃糖-山奈酚
    相似度:50%
Chinese Traditional and Herbal Drugs          2006          37          1147-1149
洋金花化学成分的研究(Ⅰ)
杨炳友;唐玲;太成梅;刘玉婕;匡海学
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     7-O-methylmangiferin
    相似度:50%
Chinese Traditional and Herbal Drugs          2002          33          874-877
Studies on chemical constituents of root of Polygala tenuifolia (Yuanzhi)Ⅰ
JIANG Yong; TU Peng fei
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     baicalin
    相似度:50%
Chinese Journal of Medicinal Chemistry          2009          19          59-62
Chemical constituents from Scutellaria baicalensis Georgi
LIU Ying-xue, LIU Zhong-gang, SU Lan, YANG Rui-ping, HAO Dong-fang, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     Nicotfuran B
C19H20O9     相似度:50%
Heterocycles          2011          83          2381-2385
Two New Benzofuranylpropanoids from Nicotiana tabacum and Their Anti-Tobacco Mosaic Virus Activities
Jianlin Tan, Zhangyu Chen, Guangyu Yang, Mingming Miao, Yongkuan Chen,* and Tianfei Li
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     tetraacetate
    相似度:50%
Bulletin of the Chemical Society of Japan          1978          51          842-849
Structure of Aloenin, a New Biologically-active Bitter Glucoside from Aloe arborescens var. natalensis
Toshifumi Hirata, Takayuki Suga
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     hispidulin 7-O-glucuronide
C22H20O12     相似度:50%
Natural Product Research and Development          1999          11(3)          1-5
CHEMICAL CONSTITUENTS OF CLERODENDRUM INDICUM
Tian Jun; Sun Handong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     hamigeromycin D
C20H27O8     相似度:50%
Tetrahedron          2010          66          955-961
Hamigeromycins C–G, 14-membered macrolides from the fungus Hamigera avellanea BCC 17816
Masahiko Isaka, Panida Chinthanom, Surisa Kongthong, Sumalee Supothina, Pataranun Ittiworapong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     (3S,5S)-3,5-diacetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-heptane
    相似度:50%
Natural Product Communications          2010          5          1687 - 1708
Naturally Occurring Diarylheptanoids
Haining Lv and Gaimei She
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     (3S)-1,5-epoxy-3-acetoxy-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-heptane
    相似度:50%
Natural Product Communications          2010          5          1687 - 1708
Naturally Occurring Diarylheptanoids
Haining Lv and Gaimei She
Structure      13C NMR   碳谱模拟图
2楼2012-11-16 12:30:56
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
haitee: 金币+5, 有帮助, 也谢谢你的工作。 2012-11-16 16:01:48
这是你求助的化合物在相似度50%以上的匹配信息
查询结果:共查到31个化合物(查询结果仅供参考)

    1 .     7-epi-Zeaenol
    C19H24O7     相似度:57.1%
    Journal of Natural Products          2011          74          1126-1131
    Resorcylic Acid Lactones with Cytotoxic and NF-κB Inhibitory Activities and Their Structure-Activity Relationships
    Sloan Ayers, Tyler N. Graf, Audrey F. Adcock, David J. Kroll, Susan Matthew, Esperanza J. Carcache de Blanco, Qi Shen, Steven M. Swanson, Mansukh C. Wani, Cedric J. Pearce, and Nicholas H. Oberlies
    Structure      13C NMR   碳谱模拟图

    2 .     zeaenol
    C19H24O7     相似度:55%
    Phytochemistry          1992          31          1987-1990
    Zearalenone derivatives produced by the fungus Drechslera portulacae
    Fumio Sugawara, Kun-Woo Kim, Kimiko Kobayashi, Jun Uzawa, Shigeo Yoshida, Noboru Murofushi, Nobutaka Takahashi, Gary A. Strobel
    Structure      13C NMR   碳谱模拟图

    3 .     compound 12
        相似度:52.3%
    Phytochemistry          1991          30          3647-3651
    Diarylheptanoids from rhizomes ofZingiber officinale
    Hiroe Kikuzaki, Masayo Kobayashi, Nobuji Nakatani
    Structure      13C NMR   碳谱模拟图

    4 .     scutelarein-7-O-β-D glucuronide
        相似度:52.3%
    Chinese Traditional and Herbal Drugs          1998          29          798-800
    Studies on the Chemical Constituents of Multiradiate Fleabane (Erigeron multiradiatus)
    Zhang Yinjun; Li Liangqiong; Yang Peiquan; et al. (College of Pharmacy; West China University of Medical Sciences; Chengdu );
    Structure      13C NMR   碳谱模拟图

    5 .     glochidionolactone F
    C21H24O12     相似度:50%
    Chemical & Pharmaceutical Bulletin          2000          48(4)          547-551
    Glochidionolactones A-F : Butenolide Glucosides from Leaves of Glochidion zeylanicum (GAERTN) A. JUSS
    Hideaki OTSUKA,Eiji HIRATA,Anki TAKUSHI,Takakazu SHINZATO,Yoshio TAKEDA,Masahiko BANDO and Masaru KIDO
    Structure      13C NMR   碳谱模拟图

    6 .     scutellarein 4'-methyl ether 7-O-β-glucuronopyranoside
    C22H20O12     相似度:50%
    Phytochemistry          2002          60          727-731
    Scutellarein 4'-methyl ether glycosides as taxonomic markers in Teucridium and Tripora (Lamiaceae, Ajugoideae)
    Renée J. Grayer, Nigel C. Veitch, Geoffrey C. Kite, Alan J. Paton,Philip J. Garnock-Jones
    Structure      13C NMR   碳谱模拟图

    7 .     chrysin 7-glucuronide
        相似度:50%
    Phytochemistry          2002          61          433-437
    Flavonoid glycosides from Centaurea pseudoscabiosa subsp.pseudoscabiosa from Turkey
    Guido Flamini, Maria Pardini, Ivano Morelli, Kuddisi Ertugrul,Huseyin Dural, Yavuz Bagci, Mustafa Kargioglu
    Structure      13C NMR   碳谱模拟图

    8 .     quercetin3-O-β-D-glucuronide
    C21H18O13     相似度:50%
    Chemical & Pharmaceutical Bulletin          1992          40          2080-2082
    Purgative Activity and Principals of the Fruits of Rosa multiflora and R. wichuraiana
    Takako SETO,Ichiro YASUDA and Kazyuki AKIYAMA
    Structure      13C NMR   碳谱模拟图

    9 .     glychionide A
    C21H18O11     相似度:50%
    Journal of Asian Natural Products Research          2005          7          677-680
    Two new compounds from Glycyrrhiza glabra
    JI-REN LI, YU-QI WANG and ZHEN-ZHI DENG
    Structure      13C NMR   碳谱模拟图

    10 .     kaempferol 7-O-α-L-rhamnopyranoside
    C21H20O10     相似度:50%
    Natural Product Research          2007          21          418-425
    Chemical composition and volatile constituents of Anthyllis barba-jovis
    Luisa Pistelli; Cecilia Noccioli; Alessandra Bertoli; Giorgia Scapecchi; Donatella Potenza
    Structure      13C NMR   碳谱模拟图

    11 .     wogonin-5-O-β-D-glucuronide methyl ester
    C23H22O11     相似度:50%
    China Journal of Chinese Materia Medica          2009          34          1097-1100
    A new flavonoid glucoside from Huanglian jiedutang decoction
    MA Zhaotang, YANG Xiuwei, ZHONG Guoyue
    Structure      13C NMR   碳谱模拟图

    12 .     kaempferol 7-O-α-L-rhamnoside
        相似度:50%
    Acta Pharmaceutica Sinica          2005          Vol 40          717-721
    The biotransformation of kaempferitrin by human intestinal flora
    YANG Xiu-wei; ZHANG Jian-ye; XU Wei; LI Jun; ZHANG Wei-qing
    Structure      13C NMR   碳谱模拟图

    13 .     Rocymosin B
    C21H24O10     相似度:50%
    Phytochemistry          1993          32          1033-1036
    Two polyphenol glycosides and tannins from Rosa cymosa
    Takashi Yoshida, Feng Wei-Sheng, Takuo Okuda
    Structure      13C NMR   碳谱模拟图

    14 .     zeaenol
    C19H24O7     相似度:50%
    Phytochemistry          1992          31          1987-1990
    Zearalenone derivatives produced by the fungus Drechslera portulacae
    Fumio Sugawara, Kun-Woo Kim, Kimiko Kobayashi, Jun Uzawa, Shigeo Yoshida, Noboru Murofushi, Nobutaka Takahashi, Gary A. Strobel
    Structure      13C NMR   碳谱模拟图

    15 .     compound 10
    C19H22O5     相似度:50%
    Bioorganic & Medicinal Chemistry Letters          2011          21          1167-1170
    Isosteric replacement of the Z-enone with haloethyl ketone and E-enone in a resorcylic acid lactone series and biological evaluation
    Carmela Napolitano, Alessandro Natoni, Corrado Santocanale, Lasse Evensen, James B. Lorens,Paul V. Murphy
    Structure      13C NMR   碳谱模拟图

    16 .     7-De-O-methylaciculatin
    C21H20O8     相似度:50%
    Journal of Natural Products          2012          75          198−201
    Cytotoxic Apigenin Derivatives from Chrysopogon aciculatis
    Chien-Chang Shen,Jing-Jy Cheng,Horng-Liang Lay,Szu-Yuan Wu,Ching-Li Ni,Che-Ming Teng,and Chien-Chih Chen
    Structure      13C NMR   碳谱模拟图

    17 .     7-O-α-L-鼠李吡喃糖基-山奈酚
        相似度:50%
    Chinese Traditional and Herbal Drugs          2006          37          1147-1149
    洋金花化学成分的研究(Ⅰ)
    杨炳友;唐玲;太成梅;刘玉婕;匡海学
    Structure      13C NMR   碳谱模拟图

    18 .     7-O-β-D-葡萄吡喃糖-山奈酚
        相似度:50%
    Chinese Traditional and Herbal Drugs          2006          37          1147-1149
    洋金花化学成分的研究(Ⅰ)
    杨炳友;唐玲;太成梅;刘玉婕;匡海学
    Structure      13C NMR   碳谱模拟图

    19 .     7-O-methylmangiferin
        相似度:50%
    Chinese Traditional and Herbal Drugs          2002          33          874-877
    Studies on chemical constituents of root of Polygala tenuifolia (Yuanzhi)Ⅰ
    JIANG Yong; TU Peng fei
    Structure      13C NMR   碳谱模拟图

    20 .     baicalin
        相似度:50%
    Chinese Journal of Medicinal Chemistry          2009          19          59-62
    Chemical constituents from Scutellaria baicalensis Georgi
    LIU Ying-xue, LIU Zhong-gang, SU Lan, YANG Rui-ping, HAO Dong-fang, PEI Yue-hu
    Structure      13C NMR   碳谱模拟图

    21 .     kaempferol-7-O-β-D-glucopyranoside
        相似度:50%
    Journal of Shenyang Pharmaceutical University          2010          27          37-39
    Isolation and identification of flavonoidal constituents from the leaves of Lonicera japonica Thunb.
    MA Jun-li, LI Ning, LI Xian
    Structure      13C NMR   碳谱模拟图

    22 .     Nicotfuran B
    C19H20O9     相似度:50%
    Heterocycles          2011          83          2381-2385
    Two New Benzofuranylpropanoids from Nicotiana tabacum and Their Anti-Tobacco Mosaic Virus Activities
    Jianlin Tan, Zhangyu Chen, Guangyu Yang, Mingming Miao, Yongkuan Chen,* and Tianfei Li
    Structure      13C NMR   碳谱模拟图

    23 .     tetraacetate
        相似度:50%
    Bulletin of the Chemical Society of Japan          1978          51          842-849
    Structure of Aloenin, a New Biologically-active Bitter Glucoside from Aloe arborescens var. natalensis
    Toshifumi Hirata, Takayuki Suga
    Structure      13C NMR   碳谱模拟图

    24 .     wogonoside
        相似度:50%
    Natural Product Research and Development          2010          22          949-951
    Cytotoxic Constituents from the Root of Ardisia crispa
    HUANG Wei; TAN Gui-shan;XU Kang-ping; LI Fu-shuang; LI Zhong-kui; LIU Yan-ping
    Structure      13C NMR   碳谱模拟图

    25 .     hispidulin 7-O-glucuronide
    C22H20O12     相似度:50%
    Natural Product Research and Development          1999          11(3)          1-5
    CHEMICAL CONSTITUENTS OF CLERODENDRUM INDICUM
    Tian Jun; Sun Handong
    Structure      13C NMR   碳谱模拟图

    26 .     scutellarein
    C21H18O12     相似度:50%
    Natural Product Research and Development          1999          11(3)          1-5
    CHEMICAL CONSTITUENTS OF CLERODENDRUM INDICUM
    Tian Jun; Sun Handong
    Structure      13C NMR   碳谱模拟图

    27 .     quecetin 3-O-β-D-glucuronide
        相似度:50%
    Natural Product Research and Development          1999          11(6)          15-17
    CHEMICAL CONSTITUENTS OF CHUANMINSHEN VIOLACEUM
    Zhou Yan; Peng Shulin; Lu Faqiang; Ding Lisheng
    Structure      13C NMR   碳谱模拟图

    28 .     hamigeromycin D
    C20H27O8     相似度:50%
    Tetrahedron          2010          66          955-961
    Hamigeromycins C–G, 14-membered macrolides from the fungus Hamigera avellanea BCC 17816
    Masahiko Isaka, Panida Chinthanom, Surisa Kongthong, Sumalee Supothina, Pataranun Ittiworapong
    Structure      13C NMR   碳谱模拟图

    29 .     Butyl chlorogenate
    C20H26O9     相似度:50%
    Natural Product Communications          2009          4          531-534
    Phenolic Compounds from Hypericum calycinum and TheirAntioxidant Activity
    Hasan Kırmızıbekmez, Carla Bassarello, Sonia Piacente, Engin Celep, İrem Ataya, Güldem Mercanoğlu and Erdem Yeşilada
    Structure      13C NMR   碳谱模拟图

    30 .     (3S,5S)-3,5-diacetoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)-heptane
        相似度:50%
    Natural Product Communications          2010          5          1687 - 1708
    Naturally Occurring Diarylheptanoids
    Haining Lv and Gaimei She
    Structure      13C NMR   碳谱模拟图

    31 .     (3S)-1,5-epoxy-3-acetoxy-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-heptane
        相似度:50%
    Natural Product Communications          2010          5          1687 - 1708
    Naturally Occurring Diarylheptanoids
    Haining Lv and Gaimei She
    Structure      13C NMR   碳谱模拟图
3楼2012-11-16 13:06:45
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