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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:67900 - salvinorin A
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ChEBI Ontology
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ChEBI Name
salvinorin A
ChEBI ID
CHEBI:67900
Definition
A natural product found in
Salvia divinorum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C23H28O8
Net Charge
0
Average Mass
432.46360
Monoisotopic Mass
432.17842
InChI
InChI=1S/C23H28O8/c1-
12(24)
30-
16-
9-
15(20(26)
28-
4)
22(2)
7-
5-
14-
21(27)
31-
17(13-
6-
8-
29-
11-
13)
10-
23(14,3)
19(22)
18(16)
25/h6,8,11,14-
17,19H,5,7,9-
10H2,1-
4H3/t14-
,15-
,16-
,17-
,19-
,22-
,23-
/m0/s1
InChIKey
OBSYBRPAKCASQB-AGQYDFLVSA-N
SMILES
[H]
[C@]
1(C[C@@]
2(C)
[C@@]
([H]
)
(CC[C@@]
3(C)
[C@@H]
(C[C@H]
(OC(C)
=O)
C(=O)
[C@]
23[H]
)
C(=O)
OC)
C(=O)
O1)
c1ccoc1
Metabolite of Species
Details
Salvia divinorum
(NCBI:txid28513)
See:
PubMed
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.
Application
(s):
oneirogen
Any substance that produces or enhances dream-like states of consciousness.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
salvinorin A (
CHEBI:67900
)
has role
metabolite (
CHEBI:25212
)
salvinorin A (
CHEBI:67900
)
has role
oneirogen (
CHEBI:146270
)
salvinorin A (
CHEBI:67900
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
salvinorin A (
CHEBI:67900
)
is a
organooxygen compound (
CHEBI:36963
)
Synonyms
Sources
(2S,4aR,6aR,7R,9S,10aS,10bR)-
methyl 9-
acetoxy-
2-
(furan-
3-
yl)-
6a,10bdimethyl-
4,10-
dioxododecahydro-
1H-
benzo[f]isochromene-
7-
carboxylate
ChEBI
Divinorin A
ChEBI
Registry Number
Type
Source
83729-01-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
21338114
PubMed citation
Europe PMC
Last Modified
06 March 2020
General Comment
2014-10-17
Suggested Classification: ISA:naphthalenes(CHEBI:25477); ISA:pyrans(CHEBI:26407); ISA:carbonyl compound(CHEBI:36586); ISA:cyclohexanones(CHEBI:23482); ISA:delta-lactone(CHEBI:18946); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:oxanes(CHEBI:46942); ISA:dicarboxylic acid(CHEBI:35692); ISA:furans(CHEBI:24129); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);