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
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 Waiting for Citations Type Source
11409944 PubMed citation Europe PMC
Last Modified
05 August 2014
Submitter Remark
2009-09-11 10:13:18.0 Kristian Axelsen Shown in pmid:11409944 scheme 1