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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:42309 - equilin
Main
ChEBI Ontology
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ChEBI Name
equilin
ChEBI ID
CHEBI:42309
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:34740, CHEBI:42304
Supplier Information
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Formula
C18H20O2
Net Charge
0
Average Mass
268.35020
Monoisotopic Mass
268.14633
InChI
InChI=1S/C18H20O2/c1-
18-
9-
8-
14-
13-
5-
3-
12(19)
10-
11(13)
2-
4-
15(14)
16(18)
6-
7-
17(18)
20/h3-
5,10,14,16,19H,2,6-
9H2,1H3/t14-
,16+,18+/m1/s1
InChIKey
WKRLQDKEXYKHJB-HFTRVMKXSA-N
SMILES
[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21
ChEBI Ontology
Outgoing
equilin (
CHEBI:42309
)
has parent hydride
estrane (
CHEBI:23966
)
equilin (
CHEBI:42309
)
is a
17-oxo steroid (
CHEBI:19168
)
equilin (
CHEBI:42309
)
is a
3-hydroxy steroid (
CHEBI:36834
)
Incoming
equilin sodium sulfate (
CHEBI:32143
)
has functional parent
equilin (
CHEBI:42309
)
IUPAC Name
3-hydroxyestra-1,3,5(10),7-tetraen-17-one
Synonyms
Sources
1,3,5,7-Estratetraen-3-ol-17-one
NIST Chemistry WebBook
7-Dehydroestrone
ChemIDplus
Dihydroequilenin
ChemIDplus
EQUILIN
PDBeChem
Equilin
KEGG COMPOUND
Manual Xrefs
Databases
C14392
KEGG COMPOUND
D04041
KEGG DRUG
DB02187
DrugBank
EQI
PDBeChem
LMST02010026
LIPID MAPS
LSM-2063
LINCS
View more database links
Registry Numbers
Types
Sources
2624302
Beilstein Registry Number
Beilstein
474-86-2
CAS Registry Number
KEGG COMPOUND
474-86-2
CAS Registry Number
ChemIDplus
474-86-2
CAS Registry Number
NIST Chemistry WebBook
Last Modified
24 February 2016