CHEBI:69461 - ircinolin A

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ChEBI Name ircinolin A
ChEBI ID CHEBI:69461
Definition A natural product found in Ircinia species.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C21H34O6
Net Charge 0
Average Mass 382.49110
Monoisotopic Mass 382.23554
InChI InChI=1S/C21H34O6/c1-15(6-4-5-7-17(23)14-22)12-18(24)13-16(2)8-9-19(25)21(3)11-10-20(26)27-21/h6,13,18-19,22,24-25H,4-5,7-12,14H2,1-3H3/b15-6+,16-13+/t18-,19+,21-/m0/s1
InChIKey YKUZFPGHZVFVLY-DZMSUEBXSA-N
SMILES C\C(CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/[C@@H](O)C\C(C)=C\CCCC(=O)CO
Metabolite of Species Details
Ircinia (NCBI:txid275431) EtOAc extract of freeze-dried specimen 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 ircinolin A (CHEBI:69461) has role metabolite (CHEBI:25212)
ircinolin A (CHEBI:69461) is a terpene lactone (CHEBI:37668)
Synonym Source
(5S)-5-Methyl-5-[(1R,4E,6S,8E)-1,6,14-trihydroxy-4,8-dimethyl-13-oxo-4,8-tetradecadien-1-yl]dihydro-2(3H)-furanone ChEBI
Citation Type Source
21902186 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:long-chain fatty alcohol(CHEBI:17135); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734);