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CHEBI:225574 - Xylodonin A

ChEBI IDCHEBI:225574
ChEBI NameXylodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILESCC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]12
InChIInChI=1S/C24H28O4/c1-23(2)12-7-13-24(3)20-17(15-27-22(20)26)14-18(21(23)24)28-19(25)11-10-16-8-5-4-6-9-16/h4-6,8-11,18,21H,7,12-15H2,1-3H3/b11-10+/t18-,21-,24+/m0/s1
InChIKeyGYIRVKUSWUIOGZ-BIGKGVTBSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
Xylodonin A (CHEBI:225574) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5S,5aS,9aS)-6,6,9a-trimethyl-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e][2]benzouran-5-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
128437618ChemSpider