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-1,4-dihydro-3H-furo[3,4-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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H12O9 Net Charge 0 Average Mass 348.26110 Monoisotopic Mass 348.04813 InChI InChI=1S/C16H12O9/c1-23-10-2-8(19)11(6(3-17)9(20)4-18)14-12(10)7-5-24-15(21)13(7)16(22)25-14/h2-4,6,9,19-20H,5H2,1H3 InChIKey MTRNKJQPSSVUEH-UHFFFAOYSA-N SMILES [H]C(=O)C(O)C(C([H])=O)c1c(O)cc(OC)c2c3COC(=O)c3c(=O)oc12 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-1,4-dihydro-3H-furo[3,4-c]chromen-6-yl)succinaldehyde Citation Type Source 11409944 PubMed citation Europe PMC Last Modified 20 March 2017