(indol-3-yl)acetyl-myo-inositol 3-L-arabinoside

Properties Image MNX_ID MNXM4194 reference chebi:28071 formula C21H27NO11 global charge 0 mol weight 469.443 InChIKey RBVNENAKUTUHCM-JLJUYRCPSA-N InChI InChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15-,16-,17+,18+,19+,20+,21+/m0/s1 SMILES O=C(CC1=CNC2=C1C=CC=C2)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15-,16-,17+,18+,19+,20+,21+/m0/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:24])[O:32][C@@H:19]1[C@@H:14]([OH:26])[C@H:16]([OH:28])[C@@H:20]([O:33][C@@H:21]3[C@H:18]([OH:30])[C@@H:13]([OH:25])[C@@H:11]([OH:23])[CH2:7][O:31]3)[C@H:17]([OH:29])[C@@H:15]1[OH:27])=[CH:6][NH:22]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0