EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217570 - Isokotanin A

ChEBI IDCHEBI:217570
ChEBI NameIsokotanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O8
Net Charge0
Average Mass438.432
Monoisotopic Mass438.13147
SMILESCOc1cc2oc(=O)cc(OC)c2c(C)c1-c1c(OC)cc2oc(=O)cc(OC)c2c1C
InChIInChI=1S/C24H22O8/c1-11-21-15(29-5)9-19(25)31-17(21)7-13(27-3)23(11)24-12(2)22-16(30-6)10-20(26)32-18(22)8-14(24)28-4/h7-10H,1-6H3
InChIKeyYZMPQQODLHAXHU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus alliaceus (ncbitaxon:209559) - DOI (10.1021/np50103a018)
ChEBI Ontology
Outgoing Relation(s)
Isokotanin A (CHEBI:217570) is a coumarins (CHEBI:23403)
IUPAC Name 
6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-2-one
Manual XrefsDatabases
9125431ChemSpider