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CHEBI:202169 - Xanthofulvin

ChEBI IDCHEBI:202169
ChEBI NameXanthofulvin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H18O14
Net Charge0
Average Mass578.438
Monoisotopic Mass578.06966
SMILESCC(=O)c1c(C)c(/C(O)=C2\COc3cc(O)c(O)c(C(=O)O)c3C2=O)cc2c(=O)c3c(C(=O)O)c(O)c(O)cc3oc12
InChIInChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-
InChIKeyVZJACTNXARYXEM-NHDPSOOVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (14513903)
ChEBI Ontology
Outgoing Relation(s)
Xanthofulvin (CHEBI:202169) is a homoflavonoid (CHEBI:73233)
IUPAC Name 
5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-ylidene)-hydroxymethyl]-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid
Manual XrefsDatabases
8070140ChemSpider