1-[(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone

Properties Image MNX_ID MNXM338742 reference chebi:129398 formula C27H31N3O6 global charge 0 mol weight 493.56 InChIKey LGXGWQIJIWVKAO-NRFANRHFSA-N InChI InChI=1S/C27H31N3O6/c1-28-20-9-18(34-3)5-6-19(20)25-26(28)21(11-31)29(10-17-4-7-22-23(8-17)36-16-35-22)13-27(25)14-30(15-27)24(32)12-33-2/h4-9,21,31H,10-16H2,1-3H3/t21-/m0/s1 SMILES COCC(=O)N1CC2(C1)CN(CC1=CC3=C(C=C1)OCO3)[C@@H](CO)C1=C2C2=C(C=C(OC)C=C2)N1C MNX internals InChI (mnx) InChI=1/C27H31N3O6/c1-28-20-9-18(34-3)5-6-19(20)25-26(28)21(11-31)29(10-17-4-7-22-23(8-17)36-16-35-22)13-27(25)14-30(15-27)24(32)12-33-2/h4-9,21,31H,10-16H2,1-3H3/t21-/m0/s1 SMILES (mnx) [CH3:1][N:28]1[C:20]2=[C:19]([CH:6]=[CH:5][C:18]([O:34][CH3:3])=[CH:9]2)[C:25]2=[C:26]1[C@H:21]([CH2:11][OH:31])[N:29]([CH2:10][C:17]1=[CH:8][C:23]3=[C:22]([CH:7]=[CH:4]1)[O:35][CH2:16][O:36]3)[CH2:13][C:27]21[CH2:14][N:30]([C:24]([CH2:12][O:33][CH3:2])=[O:32])[CH2:15]1

Parent-child relations graph

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