CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00536621" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00536621
Family CFFHM682 Benzyloxycarbonyls Metabolite Benzyl acetate Family
Superfamily CFSID649 Cathepsin B Inhibitor 3-amino-4-oxybenzyl-2-butanone Superfamily
Class CFCID457 Class 1807
External ID HMDB41473 External Source HMDB
PubChem CID 87083 Functional Category Human Metabolite
Molecule Name (3-Methylphenyl)methyl acetate
IUPAC Name (3-methylphenyl)methyl acetate
Synonyms 3-Methylbenzyl alcohol;Benzenemethanol, 3-methyl-, acetate;M-Methylbenzyl acetate
InChi InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChiKey QPTQLFCBVFKFLY-UHFFFAOYSA-N
Formula C10H12O2 Molecular Weight 164.20
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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