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aflatoxin B1 endo-8,9-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM15762

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

formula

C₁₇H₁₂O₇

charge

mass

328.0583

reference

InChIKey

KHBXRZGALJGBPA-NQZOLGFYSA-N

InChI

InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1

SMILES

COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[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-5423663 reactomeM:R-ALL-5423663 CHEBI:78586 chebi:78586	aflatoxin B1 endo-8,9-oxide (6aS,7aR,8aS,8bR)-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 AFNBO aflatoxin B1 endo-8,9-epoxide
seed.compound:cpd20848 seedM:cpd20848 CHEBI:82585 chebi:82585 kegg.compound:C19595 keggC:C19595	Aflatoxin B1-endo-8,9-epoxide
keggC:M_C19595 seedM:M_cpd20848	secondary/obsolete/fantasy identifier