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aflatoxin M1 8,9-epoxide

PropertiesImage
MNX_IDMNXM15768 Image of MNXM15768
referencechebi:78577
formulaC17H12O8
global charge0
mol weight344.275
InChIKeyXRWIIRKFSUFIPZ-HJWJTTGWSA-N
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
SMILESCOC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C(=C1)O[C@H]1O[C@@H]3O[C@@H]3[C@@]21O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM15768
SMILES (mnx)[CH3:1][O:21][C:7]1=[C:10]2[C:5]3=[C:9]([C:6](=[O:18])[CH2:3][CH2:2]3)[C:14](=[O:19])[O:23][C:12]2=[C:11]2[C:8](=[CH:4]1)[O:22][C@@H:16]1[C@@:17]2([OH:20])[C@@H:13]2[C@@H:15]([O:24]2)[O:25]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5423657
reactomeM:R-ALL-5423657
CHEBI:78577
chebi:78577
XRWIIRKFSUFIPZ-HJWJTTGWSA-N 		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

vmhM:M01301
vmhmetabolite:M01301
XRWIIRKFSUFIPZ-HJWJTTGWSA-N 		Aflatoxin-M1-8,9-Epoxide

seed.compound:cpd20847
seedM:cpd20847
CHEBI:82584
chebi:82584
kegg.compound:C19594
keggC:C19594
XRWIIRKFSUFIPZ-HJWJTTGWSA-N 		Aflatoxin-M1-8,9-epoxide

keggC:M_C19594
seedM:M_cpd20847
vmhM:M_M01301 		secondary/obsolete/fantasy identifier