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CHEBI:225586 - 22-hydroxyxylodonin A

ChEBI IDCHEBI:225586
ChEBI Name22-hydroxyxylodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O5
Net Charge0
Average Mass396.483
Monoisotopic Mass396.19367
SMILESCC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]12
InChIInChI=1S/C24H28O5/c1-23(2)11-4-12-24(3)20-16(14-28-22(20)27)13-18(21(23)24)29-19(26)10-7-15-5-8-17(25)9-6-15/h5-10,18,21,25H,4,11-14H2,1-3H3/b10-7+/t18-,21-,24+/m0/s1
InChIKeyFLLYIKBNXZGXFU-SXSJYPBVSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
22-hydroxyxylodonin A (CHEBI:225586) 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-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
128440766ChemSpider