N-(beta-D-glucosyl)-(indol-3-yl)acetyl-L-glutamate

Properties Image MNX_ID MNXM11874 reference metacycM:CPD-9573 formula C21H24N2O10 global charge -2 mol weight 464.427 InChIKey PPKYVFHFFAMMLR-NDXMBDNFSA-L InChI InChI=1S/C21H26N2O10/c24-9-14-17(28)18(29)19(30)20(33-14)23-8-10(11-3-1-2-4-13(11)23)7-15(25)22-12(21(31)32)5-6-16(26)27/h1-4,8,12,14,17-20,24,28-30H,5-7,9H2,(H,22,25)(H,26,27)(H,31,32)/p-2/t12-,14+,17+,18-,19+,20+/m0/s1 SMILES O=C([O-])CC[C@H](NC(=O)CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C1C=CC=C2)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C21H26N2O10/c24-9-14-17(28)18(29)19(30)20(33-14)23-8-10(11-3-1-2-4-13(11)23)7-15(25)22-12(21(31)32)5-6-16(26)27/h1-4,8,12,14,17-20,24,28-30H,5-7,9H2,(H,22,25)(H,26,27)(H,31,32)/t12-,14+,17+,18-,19+,20+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C:15](=[N:22][C@@H:12]([CH2:5][CH2:6][C:16](=[O:26])[OH:27])[C:21](=[O:31])[OH:32])[OH:25])=[CH:8][N:23]2[C@H:20]1[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:17]([OH:28])[C@@H:14]([CH2:9][OH:24])[O:33]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0