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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:38405 - antiogenin
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ChEBI Ontology
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ChEBI Name
antiogenin
ChEBI ID
CHEBI:38405
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H34O6
Net Charge
0
Average Mass
406.51246
Monoisotopic Mass
406.23554
InChI
InChI=1S/C23H34O6/c1-
20-
6-
3-
14(24)
11-
22(20,27)
7-
4-
16-
17(20)
10-
18(25)
21(2)
15(5-
8-
23(16,21)
28)
13-
9-
19(26)
29-
12-
13/h9,14-
18,24-
25,27-
28H,3-
8,10-
12H2,1-
2H3/t14-
,15+,16+,17-
,18+,20+,21-
,22-
,23-
/m0/s1
InChIKey
ULRMPWVHLRZNOY-CFVFHYIWSA-N
SMILES
[H]
[C@@]
1(CC[C@]
2(O)
[C@]
3([H]
)
CC[C@]
4(O)
C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
C[C@@H]
(O)
[C@]
12C)
C1=CC(=O)
OC1
ChEBI Ontology
Outgoing
antiogenin (
CHEBI:38405
)
has parent hydride
5β-cardanolide (
CHEBI:35542
)
antiogenin (
CHEBI:38405
)
is a
12β-hydroxy steroid (
CHEBI:36847
)
antiogenin (
CHEBI:38405
)
is a
14β-hydroxy steroid (
CHEBI:36862
)
antiogenin (
CHEBI:38405
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
antiogenin (
CHEBI:38405
)
is a
5β-hydroxy steroid (
CHEBI:38195
)
Incoming
antioside (
CHEBI:28373
)
has functional parent
antiogenin (
CHEBI:38405
)
IUPAC Name
3β,5,12β,14-tetrahydroxy-5β-card-20(22)-enolide
Registry Number
Type
Source
1692913
Beilstein Registry Number
Beilstein
Last Modified
04 June 2007