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CHEBI:204384 - Isokotanin C

ChEBI IDCHEBI:204384
ChEBI NameIsokotanin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O8
Net Charge0
Average Mass410.378
Monoisotopic Mass410.10017
SMILESCOc1cc(=O)oc2cc(O)c(-c3c(O)cc4oc(=O)cc(OC)c4c3C)c(C)c12
InChIInChI=1S/C22H18O8/c1-9-19(11(23)5-15-21(9)13(27-3)7-17(25)29-15)20-10(2)22-14(28-4)8-18(26)30-16(22)6-12(20)24/h5-8,23-24H,1-4H3
InChIKeyKUAZKXCKFDVOGA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus alliaceus (ncbitaxon:209559) - DOI (10.1021/np50103a018)
ChEBI Ontology
Outgoing Relation(s)
Isokotanin C (CHEBI:204384) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7-hydroxy-6-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-6-yl)-4-methoxy-5-methylchromen-2-one
Manual XrefsDatabases
8652061ChemSpider