5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside

Properties Image MNX_ID MNXM735229 reference metacycM:5-O-INDOL-3-YLACETYL-MYO-ETCETERA formula C22H29NO12 global charge 0 mol weight 499.469 InChIKey CTIMKKNHIWVXHA-ICRLQBCGSA-N InChI InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-18(31)16(29)15(28)17(30)20(21)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16-,17-,18+,19-,20-,21-,22+/m1/s1 SMILES O=C(CC1=CNC2=C1C=CC=C2)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-18(31)16(29)15(28)17(30)20(21)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16-,17-,18+,19-,20-,21-,22+/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:25])[O:34][C@@H:20]1[C@H:17]([OH:30])[C@H:15]([OH:28])[C@@H:16]([OH:29])[C@H:18]([OH:31])[C@H:21]1[O:35][C@H:22]1[C@H:19]([OH:32])[C@@H:14]([OH:27])[C@@H:13]([OH:26])[C@@H:11]([CH2:7][OH:24])[O:33]1)=[CH:6][NH:23]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0