**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

asenapine-11-O-sulfate

Properties Image MNX_ID MNXM1593386 reference vmhM:asnp11osul vmhM:asnp11osul formula C17H15ClNO5S global charge -1 mol weight 380.829 InChIKey MFUYPKMLVSJPJJ-GJZGRUSLSA-M InChI InChI=1S/C17H16ClNO5S/c1-19-8-14-12-6-10(18)2-4-16(12)23-17-5-3-11(24-25(20,21)22)7-13(17)15(14)9-19/h2-7,14-15H,8-9H2,1H3,(H,20,21,22)/p-1/t14-,15-/m0/s1 SMILES CN1C[C@H]2c3cc(Cl)ccc3Oc3ccc(OS(=O)(=O)[O-])cc3[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C17H16ClNO5S/c1-19-8-14-12-6-10(18)2-4-16(12)23-17-5-3-11(24-25(20,21)22)7-13(17)15(14)9-19/h2-7,14-15H,8-9H2,1H3,(H,20,21,22)/t14-,15-/m0/s1 SMILES (mnx) [CH3:1][N:19]1[CH2:8][C@H:14]2[c:12]3[cH:6][c:10]([Cl:18])[cH:2][cH:4][c:16]3[O:23][c:17]3[cH:5][cH:3][c:11]([O:24][S:25]([OH:20])(=[O:21])=[O:22])[cH:7][c:13]3[C@@H:15]2[CH2:9]1

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
vmhM:asnp11osul vmhM:asnp11osul vmhmetabolite:asnp11osul vmhmetabolite:asnp11osul MFUYPKMLVSJPJJ-GJZGRUSLSA-M	asenapine-11-O-sulfate
vmhM:M_asnp11osul	secondary/obsolete/fantasy identifier