Terminology Service for NFDI4Health
JSON

aflatoxin M1 8,9-epoxide

Go to external page http://purl.obolibrary.org/obo/CHEBI_78577

A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M1.

Term info

Label

aflatoxin M1 8,9-epoxide

Synonyms
  • (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
database cross reference
Subsets

3_STAR

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 [ IUPAC ]

charge

0

formula

C17H12O8

has obo namespace

chebi_ontology

has related synonym

Aflatoxin-M1-8,9-epoxide, AFM1E

id

CHEBI:78577

inchi

InChI=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

inchikey

XRWIIRKFSUFIPZ-HJWJTTGWSA-N

mass

344.27240

monoisotopicmass

344.05322

smiles

COc1cc2O[C@H]3O[C@@H]4O[C@@H]4[C@@]3(O)c2c2oc(=O)c3C(=O)CCc3c12