CHEBI:53108 - aflatoxin B₁ triol

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ChEBI Name aflatoxin B1 triol ChEBI ID CHEBI:53108 ChEBI ASCII Name aflatoxin B1 triol Definition An organic heterotricyclic compound obtained by oxidative cleavage of the furofuran ring system of aflatoxin B1. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Bijay Secondary ChEBI IDs CHEBI:78575 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 C17H18O8 Net Charge 0 Average Mass 350.32000 Monoisotopic Mass 350.10017 InChI InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3 InChIKey OKGOPKLFGPTQFQ-UHFFFAOYSA-N SMILES COc1cc(O)c(C(CO)C(O)CO)c2oc(=O)c3C(=O)CCc3c12 Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing aflatoxin B1 triol (CHEBI:53108) has functional parent aflatoxin B1 (CHEBI:2504) aflatoxin B1 triol (CHEBI:53108) has role xenobiotic metabolite (CHEBI:76206) aflatoxin B1 triol (CHEBI:53108) is a aromatic ether (CHEBI:35618) aflatoxin B1 triol (CHEBI:53108) is a aromatic ketone (CHEBI:76224) aflatoxin B1 triol (CHEBI:53108) is a organic heterotricyclic compound (CHEBI:26979) aflatoxin B1 triol (CHEBI:53108) is a phenols (CHEBI:33853) aflatoxin B1 triol (CHEBI:53108) is a triol (CHEBI:27136) IUPAC Name 7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1,2-dihydrocyclopenta[c]chromene-3,4-dione Synonyms Sources AFBDOH SUBMITTER aflatoxin B1 trialcohol ChEBI Citation Type Source 11409944 PubMed citation Europe PMC Last Modified 05 August 2014