a dioxindole-3-acetyl-3-O-hexose

Properties Image MNX_ID MNXM51117 reference metacycM:Dioxindole-3-Acetyl-3-O-hexoses formula C16H18NO9 global charge -1 mol weight 368.318 InChIKey DNQQEEOKVVSMQI-KWOMKUEJSA-M InChI InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/p-1/t9?,11?,12?,13?,14-,16?/m0/s1 SMILES O=C([O-])CC1(O[C@@H]2OC(CO)C(O)C(O)C2O)C(=O)NC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9?,11?,12?,13?,14-,16?/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[C:16]([CH2:5][C:10](=[O:19])[OH:20])([O:26][C@H:14]1[CH:13]([OH:23])[CH:12]([OH:22])[CH:11]([OH:21])[CH:9]([CH2:6][OH:18])[O:25]1)[C:15]([OH:24])=[N:17]2

Parent-child relations graph

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