CFam Chemical Families Database
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You are searching for "CFAMM00539450" in compound.

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CFAM Mol ID CFAMM00539450
Family CFFHM1148 Prenol Lipids Metabolite (E)-5,8-Megastigmadien-4-one Family
Superfamily CFSHM668 Prenol Lipids Metabolite (E)-5,8-Megastigmadien-4-one Superfamily
Class CFCID1196 Class 2546
External ID HMDB32913 External Source HMDB
PubChem CID 519382 Functional Category Human Metabolite
Molecule Name 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
IUPAC Name 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
Synonyms 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-Butanone;4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI;4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one;4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone;4-(2,6,6-Trimethylcyclohex-1-en-1-yl)butan-2-one;5-Megastigmen-9-one;7,8-Dehydro-beta-ionone;7,8-Dihydro-beta-ionone;alpha,beta-Dihydro-beta-ionone;Dihydro-b-ionone;Dihydro-beta-ionone;Oxidized latia luciferin;Oxidized-latia-luciferin
InChi InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChiKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
Formula C13H22O Molecular Weight 194.31
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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