CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00535954" in compound.

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CFAM Mol ID CFAMM00535954
Family CFFHM628 Phenols and Derivatives Metabolite 2-Chloro-1,3-dimethoxy-5-methylbenzene Family
Superfamily CFSHM362 Phenols Metabolite 2-Chloro-1,3-dimethoxy-5-methylbenzene and Benzaldehydes Metabolite 4-Chloro-3,5-dimethoxybenzaldehyde Superfamily
Class CFCHM225 Class 7310
External ID HMDB29674 External Source HMDB
PubChem CID 13939349 Functional Category Human Metabolite
Molecule Name 2-Chloro-1,3-dimethoxy-5-methylbenzene
IUPAC Name 2-chloro-1,3-dimethoxy-5-methylbenzene
Synonyms 2-Chloro-1,3-dimethoxy-5-methylbenzene;4-Chloro-3,5-dimethoxytoluene
InChi InChI=1S/C9H11ClO2/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1-3H3
InChiKey IOXKXMFPMHDABX-UHFFFAOYSA-N
Formula C9H11ClO2 Molecular Weight 186.63
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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