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CHEBI:166555 - Aflatoxin B1 dialcohol

ChEBI IDCHEBI:166555
ChEBI NameAflatoxin B1 dialcohol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESCOc1cc2c(c3c1C1=C(C(=O)CC1)C(=O)C3)C(C(O)CO)CO2
InChIInChI=1S/C18H18O6/c1-23-14-5-15-17(10(7-24-15)13(22)6-19)9-4-12(21)18-8(16(9)14)2-3-11(18)20/h5,10,13,19,22H,2-4,6-7H2,1H3
InChIKeyQEIDPNWKOZPLQZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin B1 dialcohol (CHEBI:166555) is a naphthofuran (CHEBI:39270)
IUPAC Name 
3-(1,2-dihydroxyethyl)-9-methoxy-3,4,7,8-tetrahydro-2H-indeno[5,4-e][1]benzouran-5,6-dione
Manual XrefsDatabases
HMDB0011672HMDB
35032087ChemSpider