CHEBI:133967 - aflatoxin B₁ dialdehyde(1−)

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ChEBI Name aflatoxin B1 dialdehyde(1−) ChEBI ID CHEBI:133967 ChEBI ASCII Name aflatoxin B1 dialdehyde(1-) Definition A phenolate anion that is the conjugate base of aflatoxin B1 dialdehyde, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter abridge 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 C16H11O9 Net Charge -1 Average Mass 347.254 Monoisotopic Mass 347.04086 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/p-1 InChIKey MTRNKJQPSSVUEH-UHFFFAOYSA-M SMILES C1(=C2C(C3=C(C(=O)OC3)C(O2)=O)=C(OC)C=C1[O-])C(C(=O)[H])C(O)C(=O)[H] ChEBI Ontology Outgoing aflatoxin B1 dialdehyde(1−) (CHEBI:133967) is a dialdehyde (CHEBI:38124) aflatoxin B1 dialdehyde(1−) (CHEBI:133967) is a phenolate anion (CHEBI:50525) aflatoxin B1 dialdehyde(1−) (CHEBI:133967) is conjugate base of aflatoxin B1 dialdehyde (CHEBI:53107) Incoming aflatoxin B1 dialdehyde (CHEBI:53107) is conjugate acid of aflatoxin B1 dialdehyde(1−) (CHEBI:133967) IUPAC Name 6-(3-hydroxy-1,4-dioxobutan-2-yl)-9-methoxy-3,4-dioxo-1,4-dihydro-3H-furo[3,4-C][1]benzopyran-7-olate Last Modified 21 March 2017