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aflatoxin M1 8,9-epoxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM15768

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₁₇H₁₂O₈

charge

mass

344.05322

reference

InChIKey

XRWIIRKFSUFIPZ-HJWJTTGWSA-N

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

SMILES

COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@]1(O)[C@@H](O2)O[C@@H]2O[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5423657 reactomeM:R-ALL-5423657 CHEBI:78577 chebi:78577	aflatoxin M1 8,9-epoxide (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 AFM1E Aflatoxin-M1-8,9-epoxide
seed.compound:cpd20847 seedM:cpd20847 CHEBI:82584 chebi:82584 kegg.compound:C19594 keggC:C19594	Aflatoxin-M1-8,9-epoxide
keggC:M_C19594 seedM:M_cpd20847	secondary/obsolete/fantasy identifier