CHEBI:53106 - aflatoxin B₁ 8,9-dihydrodiol

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ChEBI Name aflatoxin B1 8,9-dihydrodiol ChEBI ID CHEBI:53106 ChEBI ASCII Name aflatoxin B1 8,9-dihydrodiol Definition An aflatoxin B1 compound formed via enzymic epoxidation of aflatoxin B1 followed by non-enzymic hydrolysis. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H14O8 Net Charge 0 Average Mass 346.28830 Monoisotopic Mass 346.06887 InChI InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13?,16?,17+/m1/s1 InChIKey JRZBEIPOZPNWID-MIOCFURKSA-N SMILES [H][C@]12OC(O)C(O)[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 Roles Classification Biological Role(s): mycotoxin Poisonous substance produced by fungi. (via aflatoxin ) View more via ChEBI Ontology ChEBI Ontology Outgoing aflatoxin B1 8,9-dihydrodiol (CHEBI:53106) has functional parent aflatoxin B1 (CHEBI:2504) aflatoxin B1 8,9-dihydrodiol (CHEBI:53106) is a aflatoxin (CHEBI:22271) IUPAC Name (6aS,9aR)-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione Registry Numbers Types Sources 75084-29-6 CAS Registry Number ChemIDplus 8513204 Beilstein Registry Number Beilstein Citation Type Source 11409944 PubMed citation Europe PMC Last Modified 15 September 2009