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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:79483 - Estra-1,3,5(10),16-tetraen-3-ol benzoate
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ChEBI Ontology
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ChEBI Name
Estra-1,3,5(10),16-tetraen-3-ol benzoate
ChEBI ID
CHEBI:79483
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This entity has been manually annotated by a third party.
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Formula
C25H26O2
Net Charge
0
Average Mass
358.47270
Monoisotopic Mass
358.19328
InChI
InChI=1S/C25H26O2/c1-
25-
14-
5-
8-
23(25)
22-
11-
9-
18-
16-
19(10-
12-
20(18)
21(22)
13-
15-
25)
27-
24(26)
17-
6-
3-
2-
4-
7-
17/h2-
7,10,12,14,16,21-
23H,8-
9,11,13,15H2,1H3/t21-
,22-
,23+,25+/m1/s1
InChIKey
KHAIFVOAJPIDQL-AHCIIZGASA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC=C2
ChEBI Ontology
Outgoing
Estra-1,3,5(10),16-tetraen-3-ol benzoate (
CHEBI:79483
)
has parent hydride
estrane (
CHEBI:23966
)
Estra-1,3,5(10),16-tetraen-3-ol benzoate (
CHEBI:79483
)
is a
steroid (
CHEBI:35341
)
Manual Xref
Database
C14959
KEGG COMPOUND
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