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CHEBI:235432 - AflatoxinB1-N7-guanine

ChEBI IDCHEBI:235432
ChEBI NameAflatoxinB1-N7-guanine
Stars
Submitterjhunter
DownloadsMolfile
FormulaC22H17N5O8
Net Charge0
Average Mass479.405
Monoisotopic Mass479.10771
SMILESCOc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC(n2cnc3nc(N)nc(=O)c32)C1O
InChIInChI=1S/C22H17N5O8/c1-32-8-4-9-12(16-11(8)6-2-3-7(28)10(6)20(31)34-16)13-15(29)19(35-21(13)33-9)27-5-24-17-14(27)18(30)26-22(23)25-17/h4-5,13,15,19,21,29H,2-3H2,1H3,(H3,23,25,26,30)
InChIKeyXIOUDSNTNJNQQG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
AflatoxinB1-N7-guanine (CHEBI:235432) is a furanocoumarin (CHEBI:24128)