16-hydroxytabersonine

Properties Image MNX_ID MNXM1371328 reference chebi:58239 formula C21H25N2O3 global charge 1 mol weight 353.442 InChIKey FXUFRJQCBVSCRZ-ACRUOGEOSA-O InChI InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/p+1/t19-,20-,21-/m0/s1 SMILES CC[C@]12C=CC[NH+]3CC[C@@]4(C5=C(C=C(O)C=C5)NC4=C(C(=O)OC)C1)[C@@H]32 MNX internals InChI (mnx) InChI=1/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@:20]12[CH:7]=[CH:4][CH2:9][N:23]3[CH2:10][CH2:8][C@@:21]4([C:15]5=[CH:6][CH:5]=[C:13]([OH:24])[CH:11]=[C:16]5[NH:22][C:17]4=[C:14]([C:18](=[O:25])[O:26][CH3:2])[CH2:12]1)[C@H:19]23

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0