EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82584 - Aflatoxin-M1-8,9-epoxide

ChEBI IDCHEBI:82584
ChEBI NameAflatoxin-M1-8,9-epoxide
Stars
DownloadsMolfile
FormulaC17H12O8
Net Charge0
Average Mass344.275
Monoisotopic Mass344.05322
SMILES[H][C@@]12Oc3cc(OC)c4c5c(c(=O)oc4c3[C@]1(O)[C@H]1O[C@H]1O2)C(=O)CC5
InChIInChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16-,17-/m0/s1
InChIKeyXRWIIRKFSUFIPZ-HJWJTTGWSA-N
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin-M1-8,9-epoxide (CHEBI:82584) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
C19594KEGG COMPOUND
Registry NumbersSources
CAS:161596-64-1KEGG COMPOUND