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CHEBI:225600 - 22-hydroxyxylodonin B

ChEBI IDCHEBI:225600
ChEBI Name22-hydroxyxylodonin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCC1(C)CCC[C@]2(C)[C@@H]3C(=C[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@H]12)CO[C@H]3O
InChIInChI=1S/C24H30O5/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/h5-10,13,18,20-22,25,27H,4,11-12,14H2,1-3H3/b10-7+/t18-,20+,21-,22+,24+/m0/s1
InChIKeyLOUSEAQLVXGKPV-FJMNHKHJSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
22-hydroxyxylodonin B (CHEBI:225600) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1R,5S,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzouran-5-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate