N-beta-D-glucosyl-(indol-3-yl)acetate

Properties Image MNX_ID MNXM8731 reference metacycM:CPD-9567 formula C16H18NO7 global charge -1 mol weight 336.32 InChIKey MVSQEPAOMLRIRW-YMILTQATSA-M InChI InChI=1S/C16H19NO7/c18-7-11-13(21)14(22)15(23)16(24-11)17-6-8(5-12(19)20)9-3-1-2-4-10(9)17/h1-4,6,11,13-16,18,21-23H,5,7H2,(H,19,20)/p-1/t11-,13-,14+,15-,16-/m1/s1 SMILES O=C([O-])CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C16H19NO7/c18-7-11-13(21)14(22)15(23)16(24-11)17-6-8(5-12(19)20)9-3-1-2-4-10(9)17/h1-4,6,11,13-16,18,21-23H,5,7H2,(H,19,20)/t11-,13-,14+,15-,16-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][C:12](=[O:19])[OH:20])=[CH:6][N:17]2[C@H:16]1[C@H:15]([OH:23])[C@@H:14]([OH:22])[C@H:13]([OH:21])[C@@H:11]([CH2:7][OH:18])[O:24]1

Parent-child relations graph

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