CFam Chemical Families Database
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You are searching for "CFAMM00124006" in compound.

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CFAM Mol ID CFAMM00124006
Family CFFAD1070 Salicin family
Superfamily CFSAD899 Salicin Superfamily
Class CFCAD785 Class 785
External ID HMDB13682 External Source HMDB
PubChem CID 5280372 Functional Category Human Metabolite
Molecule Name Coniferin
IUPAC Name (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triol
Synonyms 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside;4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-delta-glucopyranoside;Abietin;Coniferin;Coniferoside;Coniferyl alcohol beta-D-glucoside;Coniferyl alcohol beta-delta-glucoside;Coniferyl alcohol-4-O-beta-D-glucopyranoside
InChi InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
InChiKey SFLMUHDGSQZDOW-FAOXUISGSA-N
Formula C16H22O8 Molecular Weight 342.34
Cross Link CHEMBL459056
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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