EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138771 - 4-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one

ChEBI IDCHEBI:138771
ChEBI Name4-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one
Stars
Last Modified23 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1(O)C=CC(C)(C2(C)CC(=O)C=C2CO)CC1
InChIInChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3
InChIKeyMKMOUQVTTUPKSO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one (CHEBI:138771) is a tertiary alcohol (CHEBI:26878)
Synonym  Source
FS4 toxinChEBI
Manual XrefsDatabases
35014366ChemSpider
HMDB0037064HMDB