CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00285739" in compound.

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CFAM Mol ID CFAMM00285739
Family CFFID3173 Aromatase Inhibitor 3,4-bis(3,4-dimethoxyphenyl)furan-2(5h)-one Family
Superfamily CFSID2214 Aromatase and Prostaglandin G/H synthase 2 Binder Superfamily
Class CFCCD131 Class 944
External ID HMDB11719 External Source HMDB
PubChem CID 29981063 Functional Category Human Metabolite
Molecule Name Homovanillic acid sulfate
IUPAC Name 2-[3-methoxy-4-(sulfooxy)phenyl]acetic acid
Synonyms 3-Methoxy-4-(sulfooxy)-benzeneacetic acid;4-Sulfooxy-3-methoxy-benzeneacetic acid;4-Sulfooxy-3-methoxyphenylacetic acid
InChi InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)
InChiKey IACOAKYXFIWAQN-UHFFFAOYSA-N
Formula C9H10O7S Molecular Weight 262.24
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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Dr. Chen Yuzong

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


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