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CHEBI:191494 - Aflatoxin Ex2B1

ChEBI IDCHEBI:191494
ChEBI NameAflatoxin Ex2B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1CC(OC)OC1O2
InChIInChI=1S/C18H16O7/c1-21-10-6-11-15(8-5-12(22-2)24-18(8)23-11)16-14(10)7-3-4-9(19)13(7)17(20)25-16/h6,8,12,18H,3-5H2,1-2H3
InChIKeyQKCJGDIUSFKBPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin Ex2B1 (CHEBI:191494) is a coumarins (CHEBI:23403)
IUPAC Name 
5,11-dimethoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Manual XrefsDatabases
35014676ChemSpider
HMDB0038807HMDB