CHEBI:69462 - 15-acetylirciformonin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15-acetylirciformonin B
ChEBI ID CHEBI:69462
Definition A natural product found in Ircinia species.
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB3202179, eMolecules:36772339, ZINC000004104829
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.52320
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-17(6-5-7-20-11-13-28-16-20)14-21(26)15-18(2)8-9-22(29-19(3)25)24(4)12-10-23(27)30-24/h6,11,13,15-16,21-22,26H,5,7-10,12,14H2,1-4H3/b17-6+,18-15+/t21-,22+,24-/m0/s1
InChIKey QBMTWQFCLDXOKN-PRBWFTGVSA-N
SMILES CC(=O)O[C@H](CC\C(C)=C\[C@@H](O)C\C(C)=C\CCc1ccoc1)[C@]1(C)CCC(=O)O1
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 15-acetylirciformonin B (CHEBI:69462) has role metabolite (CHEBI:25212)
15-acetylirciformonin B (CHEBI:69462) is a terpene lactone (CHEBI:37668)
Synonym Source
(1R,4E,6S,8E)-11-(3-Furyl)-6-hydroxy-4,8-dimethyl-1-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]-4,8-undecadien-1-yl acetate 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:carboxylic ester(CHEBI:33308); ISA:aliphatic alcohol(CHEBI:2571); ISA:gamma-lactone(CHEBI:37581); ISA:dicarboxylic acid(CHEBI:35692); ISA:furans(CHEBI:24129); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);