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CHEBI:221932 - Fusaridione A

Default Structure
ChEBI IDCHEBI:221932
ChEBI NameFusaridione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILESC/C=C(C)/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C27H31NO4/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-24(30)27(5)25(31)23(28-26(27)32)17-21-11-13-22(29)14-12-21/h6-16,23,29H,17H2,1-5H3,(H,28,32)/b9-7+,15-10+,18-6+,19-8+,20-16+/t23-,27+/m0/s1
InChIKeyVXYKTSLHEMJALI-ABULEIRLSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (23614392)
ChEBI Ontology
Outgoing Relation(s)
Fusaridione A (CHEBI:221932) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-3-[(2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl]pyrrolidine-2,4-dione
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58837292ChemSpider