CHEBI:67900 - salvinorin A

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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.
Supplier Information
Download Molfile XML SDF
Formula C23H28O8
Net Charge 0
Average Mass 432.46360
Monoisotopic Mass 432.178
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing salvinorin A (CHEBI:67900) has role metabolite (CHEBI:25212)
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 Waiting for Citations Type Source
21338114 PubMed citation Europe PMC
Last Modified
22 September 2014
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);