EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233588 - aflatoxin B1 C8-monoaldehyde(1−)

Default Structure
ChEBI IDCHEBI:233588
ChEBI Nameaflatoxin B1 C8-monoaldehyde(1−)
Stars
ASCII Nameaflatoxin B1 C(8)-monoaldehyde(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC17H15O8
Net Charge-1
Average Mass347.299
Monoisotopic Mass347.07724
SMILES[H]C(=O)C(O)C(CO)c1c([O-])cc(OC)c2c3c(c(=O)oc12)C(=O)CC3
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/h4,6,8,11,18,21-22H,2-3,5H2,1H3/p-1
InChIKeyXSQLDUBMTHWWOR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
aflatoxin B1 C8-monoaldehyde(1−) (CHEBI:233588) is a phenolate anion (CHEBI:50525)
aflatoxin B1 C8-monoaldehyde(1−) (CHEBI:233588) is conjugate base of 1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal (CHEBI:82582)
Incoming Relation(s)
1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal (CHEBI:82582) is conjugate acid of aflatoxin B1 C8-monoaldehyde(1−) (CHEBI:233588)
UniProt Name  Source
aflatoxin B1 C8-monoaldehydeUniProt
Citations