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CHEBI:200610 - Xanthoradone A

ChEBI IDCHEBI:200610
ChEBI NameXanthoradone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O9
Net Charge0
Average Mass490.464
Monoisotopic Mass490.12638
SMILESCOC1=CC(=O)c2c(cc(C)c(-c3c(OC)cc4cc5c(c(O)c4c3O)C(=O)O[C@H](C)C5)c2O)C1=O
InChIInChI=1S/C27H22O9/c1-10-5-14-21(15(28)9-17(35-4)23(14)29)24(30)18(10)22-16(34-3)8-13-7-12-6-11(2)36-27(33)20(12)25(31)19(13)26(22)32/h5,7-9,11,30-32H,6H2,1-4H3/t11-/m1/s1
InChIKeyRCENFKWKCMTSHR-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19629141)
ChEBI Ontology
Outgoing Relation(s)
Xanthoradone A (CHEBI:200610) is a organic heterotricyclic compound (CHEBI:26979)
Xanthoradone A (CHEBI:200610) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
6-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
Manual XrefsDatabases
28286670ChemSpider