CHEBI:34610 - Carbestrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Carbestrol
ChEBI ID CHEBI:34610
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H22O3
Net Charge 0
Average Mass 274.355
Monoisotopic Mass 274.15689
InChI InChI=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)
InChIKey VJKVHUZOVAWKEB-UHFFFAOYSA-N
SMILES CCC1=C(CCC(C1C)C(O)=O)c1ccc(OC)cc1
ChEBI Ontology
Outgoing Carbestrol (CHEBI:34610) is a methoxybenzenes (CHEBI:51683)
Synonyms Sources
3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid KEGG COMPOUND
Carbestrol KEGG COMPOUND
Manual Xref Database
C14660 KEGG COMPOUND
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Registry Number Type Source
1755-52-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014