CFam Chemical Families Database
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You are searching for "CFAMM00122136" in compound.

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CFAM Mol ID CFAMM00122136
Family CFFAD1063 taste receptor Ligand Cynarin Family
Superfamily CFSAD893 taste receptor Ligand Cynarin Superfamily
Class CFCAD780 Class 780
External ID HMDB39343 External Source HMDB
PubChem CID 500050 Functional Category Human Metabolite
Molecule Name 1,3,4,5-Tetra-O-galloylquinic acid
IUPAC Name 1,3,4,5-tetrakis(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
Synonyms 1,3,4,5-Tetra-O-galloylquinic acid;1,3,4,5-TetragGQA;1,3,4,5-Tetragqa
InChi InChI=1/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)
InChiKey JQVXKQDWMIXILH-UHFFFAOYNA-N
Formula C35H28O22 Molecular Weight 800.58
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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