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ChEBI
> Main
CHEBI:134426 - 23-acetoxysoladulcidine
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ChEBI Ontology
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ChEBI Name
23-acetoxysoladulcidine
ChEBI ID
CHEBI:134426
Definition
An organic heterohexacyclic compound that is soladulcidine carrying an acetoxy substituent at position 23
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H47NO4
Net Charge
0
Average Mass
473.689
Monoisotopic Mass
473.35051
InChI
InChI=1S/C29H47NO4/c1-
16-
12-
25(33-
18(3)
31)
29(30-
15-
16)
17(2)
26-
24(34-
29)
14-
23-
21-
7-
6-
19-
13-
20(32)
8-
10-
27(19,4)
22(21)
9-
11-
28(23,26)
5/h16-
17,19-
26,30,32H,6-
15H2,1-
5H3/t16-
,17+,19+,20+,21-
,22+,23+,24+,25?,26+,27+,28-
,29+/m1/s1
InChIKey
HQJSCXYJQVACQR-DFNKNYFESA-N
SMILES
[C@]
12(O[C@]
3(C[C@]
4([C@@]
5(CC[C@]
6(C[C@@H]
(O)
CC[C@]
6(C)
[C@]
5(CC[C@@]
4(C)
[C@]
3([C@@H]
1C)
[H]
)
[H]
)
[H]
)
[H]
)
[H]
)
[H]
)
C(C[C@H]
(CN2)
C)
OC(=O)
C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Rattus norvegicus
(NCBI:txid10116)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
23-acetoxysoladulcidine (
CHEBI:134426
)
has role
mouse metabolite (
CHEBI:75771
)
23-acetoxysoladulcidine (
CHEBI:134426
)
has role
rat metabolite (
CHEBI:86264
)
23-acetoxysoladulcidine (
CHEBI:134426
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
23-acetoxysoladulcidine (
CHEBI:134426
)
is a
acetate ester (
CHEBI:47622
)
23-acetoxysoladulcidine (
CHEBI:134426
)
is a
azaspiro compound (
CHEBI:35624
)
23-acetoxysoladulcidine (
CHEBI:134426
)
is a
organic heterohexacyclic compound (
CHEBI:51914
)
23-acetoxysoladulcidine (
CHEBI:134426
)
is a
oxaspiro compound (
CHEBI:37948
)
IUPAC Name
(3β,5α,13α,22α,25
R
)-3-hydroxyspirosolan-23-yl acetate
Manual Xref
Database
HMDB0031402
HMDB
View more database links
Last Modified
30 June 2017