CHEBI:53107 - aflatoxin B₁ dialdehyde

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ChEBI Name aflatoxin B1 dialdehyde ChEBI ID CHEBI:53107 ChEBI ASCII Name aflatoxin B1 dialdehyde Definition A 1,4-dialdehyde compound having a hydroxy substituent at the 2-position and a 7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl group at the 3-position. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information No supplier information found for this compound. 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 346.291 Monoisotopic Mass 346.06887 InChI InChI=1S/C17H14O8/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/h4-6,8,11,21-22H,2-3H2,1H3 InChIKey NEKLVYMOASMWTN-UHFFFAOYSA-N SMILES [H]C(=O)C(O)C(C([H])=O)C1=C(O)C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32 ChEBI Ontology Outgoing aflatoxin B1 dialdehyde (CHEBI:53107) is a dialdehyde (CHEBI:38124) aflatoxin B1 dialdehyde (CHEBI:53107) is a furochromene (CHEBI:39432) aflatoxin B1 dialdehyde (CHEBI:53107) is conjugate acid of aflatoxin B1 dialdehyde(1−) (CHEBI:133967) Incoming aflatoxin B1 dialdehyde(1−) (CHEBI:133967) is conjugate base of aflatoxin B1 dialdehyde (CHEBI:53107) IUPAC Name 2-hydroxy-3-(7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)butanedial Synonym Source AFB1 dialdehyde ChEBI Citations Last Modified 25 February 2025