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CHEBI:225596 - 11-O-methyl-12-oxoxylodonin B

ChEBI IDCHEBI:225596
ChEBI Name11-O-methyl-12-oxoxylodonin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O5
Net Charge0
Average Mass410.510
Monoisotopic Mass410.20932
SMILESCO[C@@H]1OC(=O)C2=C[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21
InChIInChI=1S/C25H30O5/c1-24(2)13-8-14-25(3)20-17(22(27)30-23(20)28-4)15-18(21(24)25)29-19(26)12-11-16-9-6-5-7-10-16/h5-7,9-12,15,18,20-21,23H,8,13-14H2,1-4H3/b12-11+/t18-,20+,21-,23+,25+/m0/s1
InChIKeyIJBOCWFTWIQMQW-NLFYUQFTSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
11-O-methyl-12-oxoxylodonin B (CHEBI:225596) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,5S,5aS,9aS,9bR)-1-methoxy-6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzouran-5-yl] (E)-3-phenylprop-2-enoate