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CHEBI:53107 - aflatoxin B1 dialdehyde

ChEBI IDCHEBI:53107
ChEBI Nameaflatoxin B1 dialdehyde
Stars
ASCII Nameaflatoxin B1 dialdehyde
DefinitionA 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.
Last Modified25 February 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
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
InChIKeyNEKLVYMOASMWTN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 dialdehydeChEBI
Citations