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CHEBI:133967 - aflatoxin B1 dialdehyde(1−)

ChEBI IDCHEBI:133967
ChEBI Nameaflatoxin B1 dialdehyde(1−)
Stars
ASCII Nameaflatoxin B1 dialdehyde(1-)
DefinitionA 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).
Last Modified25 February 2025
Submitterabridge
DownloadsMolfile
FormulaC17H13O8
Net Charge-1
Average Mass345.283
Monoisotopic Mass345.06159
SMILES[H]C(=O)C(O)C(C([H])=O)c1c([O-])cc(OC)c2c3c(c(=O)oc12)C(=O)CC3
InChIInChI=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/p-1
InChIKeyNEKLVYMOASMWTN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-olate
Synonyms  Source
aflatoxin B1 dialdehyde anionChEBI
AFB1 dialdehyde(1−)ChEBI
UniProt Name  Source
aflatoxin B1 dialdehydeUniProt