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CHEBI:69461 - ircinolin A

ChEBI IDCHEBI:69461
ChEBI Nameircinolin A
Stars
DefinitionA natural product found in Ircinia species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESC/C(=C\[C@@H](O)C/C(C)=C/CCCC(=O)CO)CC[C@@H](O)[C@]1(C)CCC(=O)O1
InChIInChI=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
InChIKeyYKUZFPGHZVFVLY-DZMSUEBXSA-N
Species of MetaboliteComponentSourceComments
Ircinia (ncbitaxon:275431) - PubMed (21902186) EtOAc extract of freeze-dried specimen
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)-furanoneChEBI
Citations