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CHEBI:233587 - aflatoxin B1 C6a-monoaldehyde(1−)

ChEBI IDCHEBI:233587
ChEBI Nameaflatoxin B1 C6a-monoaldehyde(1−)
Stars
ASCII Nameaflatoxin B1 C(6a)-monoaldehyde(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC17H15O8
Net Charge-1
Average Mass347.299
Monoisotopic Mass347.07724
SMILES[H]C(=O)C(c1c([O-])cc(OC)c2c3c(c(=O)oc12)C(=O)CC3)C(O)CO
InChIInChI=1S/C17H16O8/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/h4-5,8,11,19,21-22H,2-3,6H2,1H3/p-1
InChIKeyPRZJYJAOZVCBCB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
aflatoxin B1 C6a-monoaldehyde(1−) (CHEBI:233587) is a phenolate anion (CHEBI:50525)
aflatoxin B1 C6a-monoaldehyde(1−) (CHEBI:233587) is conjugate base of alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde (CHEBI:82583)
Incoming Relation(s)
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde (CHEBI:82583) is conjugate acid of aflatoxin B1 C6a-monoaldehyde(1−) (CHEBI:233587)
UniProt Name  Source
aflatoxin B1 C6a-monoaldehydeUniProt
Citations