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CHEBI:198503 - Isokotanin B

ChEBI IDCHEBI:198503
ChEBI NameIsokotanin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O8
Net Charge0
Average Mass424.405
Monoisotopic Mass424.11582
SMILESCOc1cc2oc(=O)cc(OC)c2c(C)c1-c1c(O)cc2oc(=O)cc(OC)c2c1C
InChIInChI=1S/C23H20O8/c1-10-20(12(24)6-16-21(10)14(28-4)8-18(25)30-16)23-11(2)22-15(29-5)9-19(26)31-17(22)7-13(23)27-3/h6-9,24H,1-5H3
InChIKeySFRGEKKETJXWMS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus alliaceus (ncbitaxon:209559) - DOI (10.1021/np50103a018)
ChEBI Ontology
Outgoing Relation(s)
Isokotanin B (CHEBI:198503) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-7-hydroxy-4-methoxy-5-methylchromen-2-one
Manual XrefsDatabases
8607879ChemSpider