(2S,3S,4S,5R)-6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid

Properties Image MNX_ID MNXM171807 reference chebi:125369 formula C16H20N2O7 global charge 0 mol weight 352.343 InChIKey QALKNDMLQRCLGT-AKFOCJAPSA-N InChI InChI=1S/C16H20N2O7/c17-4-3-7-6-18-10-2-1-8(5-9(7)10)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-2,5-6,11-14,16,18-21H,3-4,17H2,(H,22,23)/t11-,12-,13+,14-,16?/m0/s1 SMILES NCCC1=CNC2=C1C=C(OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2 MNX internals InChI (mnx) InChI=1/C16H20N2O7/c17-4-3-7-6-18-10-2-1-8(5-9(7)10)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-2,5-6,11-14,16,18-21H,3-4,17H2,(H,22,23)/t11-,12-,13+,14-,16?/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:10]2=[C:9]([CH:5]=[C:8]1[O:24][CH:16]1[C@H:13]([OH:21])[C@@H:11]([OH:19])[C@H:12]([OH:20])[C@@H:14]([C:15](=[O:22])[OH:23])[O:25]1)[C:7]([CH2:3][CH2:4][NH2:17])=[CH:6][NH:18]2

Parent-child relations graph

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