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CHEBI:219324 - Bicoumanigrin

ChEBI IDCHEBI:219324
ChEBI NameBicoumanigrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O8
Net Charge0
Average Mass410.378
Monoisotopic Mass410.10017
SMILESCOc1cc(C)c2c(OC)c(-c3c(O)c4c(C)cc(O)cc4oc3=O)c(=O)oc2c1
InChIInChI=1S/C22H18O8/c1-9-5-11(23)7-13-15(9)19(24)17(21(25)29-13)18-20(28-4)16-10(2)6-12(27-3)8-14(16)30-22(18)26/h5-8,23-24H,1-4H3
InChIKeyLESVQQSUHUNTRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (15387655)
ChEBI Ontology
Outgoing Relation(s)
Bicoumanigrin (CHEBI:219324) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
3-(4,7-dimethoxy-5-methyl-2-oxochromen-3-yl)-4,7-dihydroxy-5-methylchromen-2-one
Manual XrefsDatabases
10208562ChemSpider