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> Main
CHEBI:79492 - 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
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ChEBI Ontology
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ChEBI Name
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
ChEBI ID
CHEBI:79492
Stars
This entity has been manually annotated by a third party.
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Formula
C26H34O
Net Charge
0
Average Mass
362.54760
Monoisotopic Mass
362.26097
InChI
InChI=1S/C26H34O/c1-
17(27)
22-
10-
11-
23-
21-
9-
8-
20-
16-
19(18-
6-
4-
5-
7-
18)
12-
14-
25(20,2)
24(21)
13-
15-
26(22,23)
3/h4-
7,16,21-
24H,8-
15H2,1-
3H3/t21-
,22+,23-
,24-
,25-
,26+/m0/s1
InChIKey
GNDKEWBKRBOJSG-FBQZJRKBSA-N
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]12C)=C1C=CC=C1
ChEBI Ontology
Outgoing
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (
CHEBI:79492
)
has parent hydride
pregnane (
CHEBI:8386
)
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (
CHEBI:79492
)
is a
steroid (
CHEBI:35341
)
Manual Xref
Database
C14968
KEGG COMPOUND
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