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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34610 - Carbestrol
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ChEBI Ontology
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ChEBI Name
Carbestrol
ChEBI ID
CHEBI:34610
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
1755-52-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014