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cj考研

金虫 (小有名气)

[求助] 求助微谱数据库查一化合物

查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
70.99,114.21,114.72,114.82,115.81,115.87,121.26,121.49,125.60,125.68,144.83,145.19,145.64,148.36,148.46,165.73,166.23,175.71                 
溶剂选项: CD3SOCD3
相似度: >=60%
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【答案】应助回帖

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感谢参与,应助指数 +1
jiangchunyong: 金币+1, 谢谢 2012-08-20 09:37:01
cj考研: 金币+10, 有帮助, 谢谢! 2012-08-20 19:59:03
?????????????  
???????????
????С??????????????????????????(,)??????磺
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
70.99,114.21,114.72,114.82,115.81,115.87,121.26,121.49,125.60,125.68,144.83,145.19,145.64,148.36,148.46,165.73,166.23,175.71
  
?????? ??? CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN ??????  
?????? (???????????????趨)
??????  %(?????>=50%)  




???????????鵽55????????(???????????ο?)  
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1 .     3,5-dicaffeoylquinic acid
    ?????:78.2%
Journal of Chemical Ecology          2004          30          589-606
A Flavanone and Two Phenolic Acids from Chrysanthemum morifolium with Phytotoxic and Insect Growth Regulating Activity
Clifford W. Beninger, Mamdouh M. Abou-Zaid, Adrienne L. E. Kistner, Rebecca H. Hallett and Muhammad J. Iqbal, et al.
Structure      13C NMR   ???????

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2 .     3,5-O-dicaffeoylquinic acid
C25H24O12     ?????:77.2%
China Journal of Chinese Materia Medica          2001          26          47-49
Studies on Chemical Constituents in Dried Buds of Lonicera similis Hemsl.
LI Yongmei, WANG Tianzhi, WANG Zhixiao
Structure      13C NMR   ???????

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3 .     teucrol
    ?????:72.2%
Phytochemistry          2000          55          927-931
Teucrol, a decarboxyrosmarinic acid and its 4'-O-triglycoside, teucroside from Teucrium pilosum
Amani M.D. El-Mousallamy, Usama W. Hawas, Sahar A.M. Hussein
Structure      13C NMR   ???????

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4 .     caffeic acid 3,4-dihydroxyphenethyl ester
C17H16O6     ?????:72.2%
Journal of Natural Products          2010          73          252-254
Synthesis and Biological Evaluation of Caffeic Acid 3,4-Dihydroxyphenethyl Ester
Zhizhen Zhang, Binghua Xiao, Qi Chen and Xiao-Yuan Lian
Structure      13C NMR   ???????

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5 .     rosemarinic acid
    ?????:72.2%
Journal of Shenyang Pharmaceutical University          2009          26          691-693
Isolation and identification of chemical constituents from stem and root of Ziziphora clinopodioides Lam.
LI Ning, YANG Xiao-ju, MENG Da-li, LI Xian
Structure      13C NMR   ???????

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6 .     3-methoxy-4-hrdroxyphenylpropyl caffeate
C19H20O6     ?????:68.4%
Acta Pharmaceutica Sinica          2007          Vol 42          621-624
Chemical constituents of Ligularia duciformis
FU Kai-zhou; YU Neng-jiang; ZHANG Yang; ZHAO Yi-m
Structure      13C NMR   ???????

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7 .     (Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester
C17H14O6     ?????:66.6%
Chemical & Pharmaceutical Bulletin          1990          38          1772-1774
TWO NEW POTENT INHIBITORS OF XANTHINE OXIDASE FROM LEAVES OF PERILLA FRUTESCENS BRITTON VAR. ACUTA KUDO
Tsutomu NAKANISHI,Masatoshi NISHI,Akira INADA,Hiroshi OBATA,Nobukazu TANABE,Shiro ABE and Michio WAKASHIRO
Structure      13C NMR   ???????

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

8 .     4,5-di-O-caffeoyl quinic acid
    ?????:66.6%
Natural Product Research          2009          23          1378-1383
A new acylated quercetin glycoside from the leaves of Stevia rebaudiana Bertoni
Jun Li; Hua Jiang; Renbing Shi
Structure      13C NMR   ???????

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

9 .     rosmarinic acid
    ?????:66.6%
Chemical & Pharmaceutical Bulletin          1998          46          107-112
Constituents of Roots of Salvia deserta SCHANG. (Xinjiang-Danshen)
Yasuhiro TEZUKA,Rena KASIMU,Jian Xin LI,Purusotam BASNET,Ken TANAKA,Tsuneo NAMBA and Shigetoshi KADOTA
Structure      13C NMR   ???????

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10 .     3,3'-???????????????(3,3'-Diethoxy rosmarinic acid)
    ?????:66.6%
Chemical Journal of Chinese Universities          2006          27          1292-1294
Studies on Antibacterial Constituents of Perillafru tescens
GUO Qun-Qun, DU Gui-Cai, LI Rong-Gui, TENG Da-Wei
Structure      13C NMR   ???????

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

11 .     ???????
C18H16O8     ?????:66.6%
Chinese Traditional and Herbal Drugs          2010          41          29-32
?????????????о?
?????; ????; ???; ????; ?????;
Structure      13C NMR   ???????

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

12 .     ??-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-benzenepropanoic acid
    ?????:66.6%
Archives of Pharmacal Research          1997          20          291-296
Constituents of the herb of Isodon excisus var. coreanus
Ho Kyoung Kim, Wan Kyunn Whang and Il Hyuk Kim
Structure      13C NMR   ???????

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13 .     rosmarinic acid
    ?????:66.6%
Chinese Pharmaceutical Journal          2009          44          170-175
Bioactive Chemical Constituents from Tibetan Medicine Dracocephalum tanguticum Maxim.
SHEN Jie, YE Yun-hua, ZHOU Ya-wei
Structure      13C NMR   ???????

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

14 .     rosmarinci acid
C18H16O8     ?????:66.6%
Journal of Shenyang Pharmaceutical University          2007          24          280-283
Chemical constituents of Rhodiola rosea L. and the inhibitiory effect on UV-induced A375-S2 cell death
WANG Fang-yu, LI Dan, HAN Zhi-chao, GAO Hui-yuan, WU Li-jun
Structure      13C NMR   ???????

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15 .     rosmarinic acid
    ?????:66.6%
Journal of Shenyang Pharmaceutical University          2006          23          425-426
Chemical constituents of the active parts of Mentha spicata L. (II)
ZHENG Jian, GAO Hui-yuan, CHEN Guang-tong, YANG Xiao-ke, WU Bin, WU Li-jun
Structure      13C NMR   ???????

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

16 .     rosmarinic acid
    ?????:66.6%
Food Chemistry          2011          126          54-59
Assessment of in vitro antioxidant capacity of stem and leaf extracts of Rabdosia serra (MAXIM.) HARA and identification of the major compound
Lianzhu Lin, Chun Cui, Lingrong Wen, Bao Yang, Wei Luo, Mouming Zhao
Structure      13C NMR   ???????

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

17 .     methyl rosmarinate
    ?????:63.1%
Chinese Chemical Letters          2000          11          997-1000
Depsides from Prunella vulgaris
Zhu Ju WANG, Yu Ymg ZHAO, Bin WANG, Tie Mm AI, Ya Yan CHEN
Structure      13C NMR   ???????

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

18 .     methyl rosmarinate
    ?????:63.1%
China Journal of Chinese Materia Medica          2008          33          155-157
Studies on chemical constituents of Sarcandra glabra
ZHU Lipinag, LI Yuan, YANG Jingzhi, ZUO Li, ZHANG Dongming
Structure      13C NMR   ???????

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

19 .     3,5-di-O-caffeoyl quinic acid
    ?????:61.9%
Korean Journal of Pharmacognosy          2003          34(2)          128-131
Chemical Constituents of Dipsacus asper (II)
Kwon, Yong-Soo; Kim, Kwan-Oh; Lee, Jin-Hoon; Son, Soon-Ju; Won, Hee-Mok; Chang, Bok-Sim; Kim, Chang-Min
Structure      13C NMR   ???????

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20 .     chlorogenic acid
C16H18O9     ?????:61.1%
Chemical & Pharmaceutical Bulletin          1991          39          865-870
Studies on the Constituents of the Bark of Kalopanax pictus NAKAI
Kazuko SANO,Shuichi SANADA,Yoshiteru IDA and Junzo SHOJI
Structure      13C NMR   ???????

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21 .     (Z,E)-2-(3,5-dihydroxyphenyl)ethenyl ester
    ?????:61.1%
Chemical & Pharmaceutical Bulletin          1990          38          1772-1774
TWO NEW POTENT INHIBITORS OF XANTHINE OXIDASE FROM LEAVES OF PERILLA FRUTESCENS BRITTON VAR. ACUTA KUDO
Tsutomu NAKANISHI,Masatoshi NISHI,Akira INADA,Hiroshi OBATA,Nobukazu TANABE,Shiro ABE and Michio WAKASHIRO
Structure      13C NMR   ???????

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

22 .     chlorogenic acid
    ?????:61.1%
Chemistry of Natural Compounds          2006          42          567-570
NEW THIAZINEDIONES AND OTHER COMPONENTS FROM Xanthium strumarium
Ting Han, Huiliang Li, Qiaoyan Zhang,Hanchen Zheng, and Luping Qin
Structure      13C NMR   ???????

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

23 .     rosmarinic acid
    ?????:61.1%
Chinese Chemical Letters          2000          11          997-1000
Depsides from Prunella vulgaris
Zhu Ju WANG, Yu Ymg ZHAO, Bin WANG, Tie Mm AI, Ya Yan CHEN
Structure      13C NMR   ???????

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

24 .     Chlorogenic acid
C16H18O9     ?????:61.1%
Molecules          2008          13          2796-2803
A New Phloroglucinol Diglycoside Derivative from Hypericum japonicum Thunb.
Xiao W. Wang, Yu Mao, Nai-Li Wang and Xin S. Yao
Structure      13C NMR   ???????

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25 .     trans-caffeoylgluconic acid
C15H18O10     ?????:61.1%
Journal of Asian Natural Products Research          2008          10          759-763
Two new acylgluconic acids from the nearly ripe fruits of Evodia rutaecarpa
Meng-Yao Zhao and Xiu-Wei Yang
Structure      13C NMR   ???????

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26 .     davidioside B
C15HI5O9     ?????:61.1%
Natural Product Research          2008          22          471-476
New caffeoyl derivatives from the leaves of Davidia involucrata
Ming-An Ouyang; Jian-Nin Zhou; Shi-Bin Wang
Structure      13C NMR   ???????

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

27 .     rosmarinic acid
C18H16O8     ?????:61.1%
Chemical & Pharmaceutical Bulletin          1999          47          1444-1447
Studies on the Constituents of Fruits of Helicteres isora L.
Toshiko SATAKE,Kohei KAMIYA,Yasuhisa SAIKI,Takao HAMA,Yasuo FUJIMOTO,Susumu KITANAKA,Yumiko KIMURA,Jun UZAWA,Hanani ENDANG and Mansur UMAR
Structure      13C NMR   ???????

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

28 .     2-O-caffeoyl-3-(4-hydroxyphenyl) latic acid
C18H16O7     ?????:61.1%
Chemical & Pharmaceutical Bulletin          1999          47          1444-1447
Studies on the Constituents of Fruits of Helicteres isora L.
Toshiko SATAKE,Kohei KAMIYA,Yasuhisa SAIKI,Takao HAMA,Yasuo FUJIMOTO,Susumu KITANAKA,Yumiko KIMURA,Jun UZAWA,Hanani ENDANG and Mansur UMAR
Structure      13C NMR   ???????

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

29 .     3,5-dicaffeoylquinic acid
    ?????:61.1%
Fitoterapia          2000          71          713-715
Constituents from Lonicera japonica
Li-Yan Peng, Shuang-Xi Mei, Bei Jiang, Hong Zhou,Han-Dong Sun
Structure      13C NMR   ???????

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

30 .     3,5-dicaffeoylquinic acid methyl ester
    ?????:61.1%
Fitoterapia          2000          71          713-715
Constituents from Lonicera japonica
Li-Yan Peng, Shuang-Xi Mei, Bei Jiang, Hong Zhou,Han-Dong Sun
Structure      13C NMR   ???????

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

31 .     1S-3??-O-trans-caffeoyl-1??,4??,5??-trihydroxycyclohexane-1-carboxylic acid
C16H18O9     ?????:61.1%
Phytochemistry          1998          49          103-108
A Caffeoylcyclohexane-1-Carboxylic Acid Derivative From Asimina Triloba
Meena Haribal, Paul Feeny, Cathy C. Lester
Structure      13C NMR   ???????

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

32 .     chlorogenic acid
    ?????:61.1%
Korean Journal of Pharmacognosy          1998          29(2)          142-145
Phenolic Compound from Lepisorus thunbergianus
Lee, Min-Won
Structure      13C NMR   ???????

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

33 .     Chlorogenic acid
    ?????:61.1%
Archives of Pharmacal Research          2011          Vol 34, No 9          1561-1569
Inhibition of 5-Lipoxygenase and Skin Inflammation by the Aerial Parts of Artemisia capillaris and its Constituents
Oh Song Kwon, Jae Sue Choi, Md. Nurul Islam, Yeong Shik Kim, and Hyun Pyo Kim
Structure      13C NMR   ???????

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34 .     1-[(caffeoyloxy)(carboxy)methoxy]-1H-pyrrole-2,3,5-tricarboxylic acid
    ?????:61.1%
Phytochemistry          1990          29          3299-3301
Caffeoylmalic and two pyrrole acids from Parietaria officinalis
Jaromir Budzianowski
Structure      13C NMR   ???????

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

35 .     chlorogenic
    ?????:61.1%
Chinese Traditional and Herbal Drugs          2008          39          21-23
?????????????о?
???;????;????
Structure      13C NMR   ???????

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

36 .     1-O-caffeoylquinic acid
C16H18O9     ?????:61.1%
Chinese Journal of Natural Medicines          2006          4          45-48
Chemical Constituents in Bud of Lonicera macranthoides
XU Xiao-Fang; LI Hui-Jun; Li Ping; FENG Xu; YUAN Chang-Qi
Structure      13C NMR   ???????

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

37 .     Chlorogenic acid
    ?????:61.1%
Archives of Pharmacal Research          1999          22          213-218
Antioxidant flavonoids and chlorogenic acid from the leaves of Eriobotrya japonica
Hyun Ah Jung, Jong Cheol Park, Hae Young Chung, Jong Kim and Jae Sue Choi
Structure      13C NMR   ???????

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

38 .     Rosmarinic acid
C18H16O8     ?????:61.1%
Guihaia          2010          30          887-890
Chemical constituents of Picria f el-terrae
HUANG Yong-Lin, CHEN Yue-Yuan, WEN Yong-Xin, LI Dian-Peng, CHEN Wen-Juan, LIU Jin-Lei, LU Feng-Lai
Structure      13C NMR   ???????

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

39 .     Chlorogenic acid
    ?????:61.1%
Natural Product Sciences          2010          16          20-25
Isolation of Phenolics, Nucleosides, Saccharides and an Alkaloid from the root of Aralia cordata
Hyun, Sook-Kyung; Jung, Hyun-Ah; Min, Byung-Sun; Jung, Jee-H.; Choi, Jae-Sue
Structure      13C NMR   ???????

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

40 .     Neochlorogenic acid
    ?????:61.1%
Natural Product Sciences          2010          16          20-25
Isolation of Phenolics, Nucleosides, Saccharides and an Alkaloid from the root of Aralia cordata
Hyun, Sook-Kyung; Jung, Hyun-Ah; Min, Byung-Sun; Jung, Jee-H.; Choi, Jae-Sue
Structure      13C NMR   ???????

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

41 .     chlorogenic acid
    ?????:61.1%
Chinese Pharmaceutical Journal          2005          40          1859-1861
Study on chemical constitutes of Smallanthus sonchifolius
TAN Cheng-yu, HU Jian-en, WANG Huan-di, DU Yu-guang, BAI Xue-fang
Structure      13C NMR   ???????

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

42 .     chlorogenic acid
C16H18O9     ?????:61.1%
Journal of Shenyang Pharmaceutical University          2009          26          188-190
Isolation, identification and activity determination on the anti-hypoxic components of Hypericum japonicum Thunb.
WANG Xiao-wei, MAO Yu, FAN Ming, DING A i-shi, WANG Nai-li, YAO Xin-sheng
Structure      13C NMR   ???????

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

43 .     chlorogenic acid
    ?????:61.1%
Journal of Shenyang Pharmaceutical University          2006          23          568-569
Chemical constituents from the water-soluble part of Notopterygium incisum Ting ex H. T. Chang
LIU Zhi-gang, REN Pei-pei, LI Fa-mei
Structure      13C NMR   ???????

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

44 .     rosmanic acid
    ?????:61.1%
Natural Product Research and Development          2008          20          262-264
Chemical Constituents of Glechoma longituba
YU Zhi-bin; WU Xia; YE Yun-hua; ZHOU Ya-wei
Structure      13C NMR   ???????

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

45 .     rosmarinic acid
    ?????:61.1%
Journal of the Chinese Chemical Society          1995          42          93-95
Chemical Components from Triumfetta bartramia
??禮??(Li-Kang Ho);??????(Chiann-Rong Chang);??????(Yuan-Shiun Chang)
Structure      13C NMR   ???????

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

46 .     chlorogenic acid
    ?????:61.1%
Journal of Chemical Ecology          2004          30          589-606
A Flavanone and Two Phenolic Acids from Chrysanthemum morifolium with Phytotoxic and Insect Growth Regulating Activity
Clifford W. Beninger, Mamdouh M. Abou-Zaid, Adrienne L. E. Kistner, Rebecca H. Hallett and Muhammad J. Iqbal, et al.
Structure      13C NMR   ???????

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

47 .     chlorogenic acid
    ?????:61.1%
Phytotherapy Research          1998          12          562-567
Flavonol monoglycosides isolated from the antiviral fractions of Persea americana (Lauraceae) leaf infusion
A. P. de Almeida, M. M. F. S. Miranda, I. C. Simoni, M. D. Wigg, M. H. C. Lagrota and S. S. Costa
Structure      13C NMR   ???????

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

48 .     chlorogenic acid
    ?????:61.1%
Turkish Journal of Chemistry          2001          25          93-97
The Isolation of Carboxylic Acids from the Flowers of Delphinium formosum
NEDİME DÜRÜST, SEÇKİN ÖZDEN, ESRA UMUR, YAŞAR DÜRÜST, MUSTAFA KÜÇÜKİSLAMOĞLU
Structure      13C NMR   ???????

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

49 .     (-)-N-[3',4'-Dihydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine
    ?????:61.1%
Journal of Agricultural and Food Chemistry          2005          53          5419-5428
Isolation, Structure Determination, Synthesis, and Sensory Activity of N-Phenylpropenoyl-l-amino Acids from Cocoa (Theobroma cacao)
Timo Stark and Thomas Hofmann
Structure      13C NMR   ???????

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

50 .     compound 1
    ?????:61.1%
Journal of Agricultural and Food Chemistry          1999          47          3963-3966
Phenolic Antioxidants from the Leaves of Corchorus olitorius L.
Keiko Azuma, Masayoshi Nakayama, Masaji Koshioka, Katsunari Ippoushi, Yuichi Yamaguchi, Katsunari Kohata, Yuji Yamauchi, Hidekazu Ito, and Hisao Higashio
Structure      13C NMR   ???????

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

51 .     2-O-??-D-(6-O-gentisoylglucopyranosyl)gentisic acid
C20H20O12     ?????:60%
Chemistry of Natural Compounds          2009          45          182-186
TWO NOVEL PHENOLIC COMPOUNDSFROM Stenoloma chusanum AND THEIRANTIFUNGAL ACTIVITY
Bingru Ren, Bing Xia, Weilin Li,Julan Wu, and Hanqing Zhang
Structure      13C NMR   ???????

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

52 .     erigeside ??
    ?????:60%
Acta Botanica Sinica          2002          44          344-348
Glycosides from Erigeron breviscapus
CHEN Bin, LI Bo-Gang, ZHANG Guo-Lin
Structure      13C NMR   ???????

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

53 .     ethyl rosmarinate
    ?????:60%
Chinese Chemical Letters          2000          11          997-1000
Depsides from Prunella vulgaris
Zhu Ju WANG, Yu Ymg ZHAO, Bin WANG, Tie Mm AI, Ya Yan CHEN
Structure      13C NMR   ???????

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

54 .     ethyl rosmarinate
    ?????:60%
China Journal of Chinese Materia Medica          2008          33          155-157
Studies on chemical constituents of Sarcandra glabra
ZHU Lipinag, LI Yuan, YANG Jingzhi, ZUO Li, ZHANG Dongming
Structure      13C NMR   ???????

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

55 .     1-O-feruloyl-3-O-p-coumaroylglycerol
C22H22O8     ?????:60%
Modern Chinese Medicine          2009          11(6)          9-11
Chemical Constituents from the Stems of Asparagus officinalis
Sun Zhouxuan, Huang Xuefeng, Kong Lingyi
Structure      13C NMR   ???????

--------------------------------------------------------------------------------
绳命是入次的井猜
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