CHEBI:177859 - Andilesin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Andilesin A
ChEBI ID CHEBI:177859
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32O6
Net Charge 0
Average Mass 428.525
Monoisotopic Mass 428.21989
InChI InChI=1S/C25H32O6/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25+/m0/s1
InChIKey SJSNDUDHAXBERS-ABGUQTIISA-N
SMILES O1C[C@]23[C@]45[C@@](C[C@]2(C(=O)[C@@](C4)([C@H](O)[C@@]3(C1=O)[H])C)C)([C@@]6([C@@](CC5)(C(OC(=O)C=C6)(C)C)[H])C)[H]
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Andilesin A (CHEBI:177859) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1S,4R,10R,11S,13R,15S,16R,17R,21R)-16-hydroxy-5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docos-8-ene-7,14,18-trione
Manual Xref Database
52085358 ChemSpider
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Registry Number Type Source
60451-43-6 CAS Registry Number ChemIDplus