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CHEBI:209564 - Vinaxanthone

Default Structure
ChEBI IDCHEBI:209564
ChEBI NameVinaxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H16O14
Net Charge0
Average Mass576.422
Monoisotopic Mass576.05401
SMILESCC(=O)c1cc2c(=O)c3c(C(=O)O)c(O)c(O)cc3oc2c(C(C)=O)c1-c1coc2cc(O)c(O)c(C(=O)O)c2c1=O
InChIInChI=1S/C28H16O14/c1-7(29)9-3-10-22(33)19-15(5-13(32)25(36)21(19)28(39)40)42-26(10)16(8(2)30)17(9)11-6-41-14-4-12(31)24(35)20(27(37)38)18(14)23(11)34/h3-6,31-32,35-36H,1-2H3,(H,37,38)(H,39,40)
InChIKeyMEYYEMQDVMMNNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(00)92295-0)
ChEBI Ontology
Outgoing Relation(s)
Vinaxanthone (CHEBI:209564) is a isoflavones (CHEBI:38757)
IUPAC Name 
5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-yl)-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid
Manual XrefsDatabases
4589348ChemSpider