11-Hydroxytubotaiwine

Properties Image MNX_ID MNXM116111 reference chebi:174590 formula C20H24N2O3 global charge 0 mol weight 340.423 InChIKey ILEBWSZOKJHVSX-UHFFFAOYSA-N InChI InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3 SMILES CCC1C2CCN3CCC4(C5=C(C=C(O)C=C5)NC4=C2C(=O)OC)C13 MNX internals InChI (mnx) InChI=1/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3/t12?,13?,18?,20? SMILES (mnx) [CH3:1][CH2:3][CH:12]1[CH:13]2[CH2:6][CH2:8][N:22]3[CH2:9][CH2:7][C:20]4([C:14]5=[CH:5][CH:4]=[C:11]([OH:23])[CH:10]=[C:15]5[NH:21][C:17]4=[C:16]2[C:19](=[O:24])[O:25][CH3:2])[CH:18]13

Parent-child relations graph

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