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CHEBI:78577 - aflatoxin M1 8,9-epoxide

ChEBI IDCHEBI:78577
ChEBI Nameaflatoxin M1 8,9-epoxide
Stars
ASCII Nameaflatoxin M1 8,9-epoxide
DefinitionA member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M1.
Last Modified11 August 2014
SubmitterBijay
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
Roles Classification
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
aflatoxin M1 8,9-epoxide (CHEBI:78577) has functional parent aflatoxin M1 (CHEBI:78576)
aflatoxin M1 8,9-epoxide (CHEBI:78577) has role xenobiotic metabolite (CHEBI:76206)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aflatoxin (CHEBI:22271)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aromatic ether (CHEBI:35618)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aromatic ketone (CHEBI:76224)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a cyclic ketal (CHEBI:59779)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a epoxide (CHEBI:32955)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(6aS,7aS,8aR,8bS)-8b-hydroxy-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione
Synonyms  Source
AFM1ESUBMITTER
Aflatoxin-M1-8,9-epoxideKEGG COMPOUND
Manual XrefsDatabases
C19594KEGG COMPOUND
Registry NumbersSources
CAS:161596-64-1KEGG COMPOUND