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CHEBI:34610 - Carbestrol

ChEBI IDCHEBI:34610
ChEBI NameCarbestrol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCCC1=C(c2ccc(OC)cc2)CCC(C(=O)O)C1C
InChIInChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyVJKVHUZOVAWKEB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Carbestrol (CHEBI:34610) is a methoxybenzenes (CHEBI:51683)
Synonyms  Source
CarbestrolKEGG COMPOUND
3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C14660KEGG COMPOUND
Registry NumbersSources
CAS:1755-52-8KEGG COMPOUND