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> Main
CHEBI:71625 - sarmentologenin
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ChEBI Name
sarmentologenin
ChEBI ID
CHEBI:71625
Definition
A steroid lactone that is card-20(22)-enolide substituted by hydroxy groups at positions 3, 5, 11, 14 and 19.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H34O7
Net Charge
0
Average Mass
422.51190
Monoisotopic Mass
422.23045
InChI
InChI=1S/C23H34O7/c1-
20-
10-
17(26)
19-
16(3-
6-
22(28)
9-
14(25)
2-
5-
21(19,22)
12-
24)
23(20,29)
7-
4-
15(20)
13-
8-
18(27)
30-
11-
13/h8,14-
17,19,24-
26,28-
29H,2-
7,9-
12H2,1H3/t14-
,15+,16+,17+,19+,20+,21-
,22-
,23-
/m0/s1
InChIKey
MLPFCOJXAGAUJR-GBLUZQOCSA-N
SMILES
[H]
[C@@]
1(CC[C@]
2(O)
[C@]
3([H]
)
CC[C@]
4(O)
C[C@@H]
(O)
CC[C@]
4(CO)
[C@@]
3([H]
)
[C@H]
(O)
C[C@]
12C)
C1=CC(=O)
OC1
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sarmentologenin (
CHEBI:71625
)
has parent hydride
5β-cardanolide (
CHEBI:35542
)
sarmentologenin (
CHEBI:71625
)
has role
metabolite (
CHEBI:25212
)
sarmentologenin (
CHEBI:71625
)
is a
butenolide (
CHEBI:50523
)
sarmentologenin (
CHEBI:71625
)
is a
hydroxy steroid (
CHEBI:35350
)
sarmentologenin (
CHEBI:71625
)
is a
steroid lactone (
CHEBI:26766
)
Incoming
elaeodendroside V (
CHEBI:65830
)
has functional parent
sarmentologenin (
CHEBI:71625
)
IUPAC Name
(3β,5β,11α)-3,5,11,14,19-pentahydroxycard-20(22)-enolide
Registry Numbers
Types
Sources
56600
Reaxys Registry Number
Reaxys
6785-68-8
CAS Registry Number
ChemIDplus
Last Modified
17 January 2013