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CHEBI:227640 - Xanthoradone B

ChEBI IDCHEBI:227640
ChEBI NameXanthoradone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22O9
Net Charge0
Average Mass490.464
Monoisotopic Mass490.12638
SMILESCOc1cc2c(c(O)c1-c1c(OC)cc3cc4c(c(O)c3c1O)C(=O)O[C@H](C)C4)C(=O)C=C(C)C2=O
InChIInChI=1S/C27H22O9/c1-10-5-15(28)20-14(23(10)29)9-17(35-4)22(26(20)32)21-16(34-3)8-13-7-12-6-11(2)36-27(33)19(12)24(30)18(13)25(21)31/h5,7-9,11,30-32H,6H2,1-4H3/t11-/m1/s1
InChIKeyDNCDKJFGLNHFJL-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19629141)
ChEBI Ontology
Outgoing Relation(s)
Xanthoradone B (CHEBI:227640) is a organic heterotricyclic compound (CHEBI:26979)
Xanthoradone B (CHEBI:227640) 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-7-methoxy-2-methylnaphthalene-1,4-dione
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78437838ChemSpider