1H-Indol-3-ylacetyl-myo-inositol

Properties Image MNX_ID MNXM1129009 reference chebi:167913 formula C16H19NO7 global charge 0 mol weight 337.328 InChIKey XUACNUJFOIKYPQ-ONKIVUJISA-N InChI InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11?,12-,13+,14-,15-,16?/m1/s1 SMILES O=C(CC1=CNC2=C1C=CC=C2)OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11?,12-,13+,14-,15-,16?/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]2[C:8](=[CH:3]1)[C:7]([CH2:5][C:10](=[O:18])[O:24][CH:16]1[C@H:14]([OH:22])[C@H:12]([OH:20])[CH:11]([OH:19])[C@H:13]([OH:21])[C@H:15]1[OH:23])=[CH:6][NH:17]2

Parent-child relations graph

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