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CHEBI:225579 - 1-hydroxyxylodonin A

ChEBI IDCHEBI:225579
ChEBI Name1-hydroxyxylodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O5
Net Charge0
Average Mass396.483
Monoisotopic Mass396.19367
SMILESCC1(C)CC[C@@H](O)[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]12
InChIInChI=1S/C24H28O5/c1-23(2)12-11-18(25)24(3)20-16(14-28-22(20)27)13-17(21(23)24)29-19(26)10-9-15-7-5-4-6-8-15/h4-10,17-18,21,25H,11-14H2,1-3H3/b10-9+/t17-,18+,21-,24+/m0/s1
InChIKeyRSTDLWMDIQZRBJ-AEYSNHFCSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
1-hydroxyxylodonin A (CHEBI:225579) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5S,5aS,9R,9aS)-9-hydroxy-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