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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:34165 - 16-Ketoestradiol
Main
ChEBI Ontology
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ChEBI Name
16-Ketoestradiol
ChEBI ID
CHEBI:34165
Stars
This entity has been manually annotated by a third party.
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Formula
C18H22O3
Net Charge
0
Average Mass
286.366
Monoisotopic Mass
286.15689
InChI
InChI=1S/C18H22O3/c1-
18-
7-
6-
13-
12-
5-
3-
11(19)
8-
10(12)
2-
4-
14(13)
15(18)
9-
16(20)
17(18)
21/h3,5,8,13-
15,17,19,21H,2,4,6-
7,9H2,1H3/t13-
,14-
,15+,17+,18+/m1/s1
InChIKey
KJDGFQJCHFJTRH-YONAWACDSA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(=O)[C@@H]2O
ChEBI Ontology
Outgoing
16-Ketoestradiol (
CHEBI:34165
)
is a
16-oxo steroid (
CHEBI:47786
)
Synonyms
Sources
16-Ketoestradiol
KEGG COMPOUND
16-Oxo-17beta-estradiol
KEGG COMPOUND
Manual Xrefs
Databases
C14383
KEGG COMPOUND
HMDB0000406
HMDB
View more database links
Registry Number
Type
Source
566-75-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014