2-(6-oxo-1-oxaspiro[2.5]octa-4-glucosyl)-6-hydroxy-1-benzofuran-3-one

Properties Image MNX_ID MNXM147712 reference metacycM:CPD-17479 formula C21H22O10 global charge 0 mol weight 434.397 InChIKey LYAYHRQWYQGYJH-AOFOMWIKSA-N InChI InChI=1S/C21H22O10/c22-8-13-15(25)16(26)17(27)20(30-13)28-10-3-5-21(6-4-10)19(31-21)18-14(24)11-2-1-9(23)7-12(11)29-18/h1-7,10,13,15-20,22-23,25-27H,8H2/t10?,13-,15-,16+,17-,18?,19?,20-,21?/m1/s1 SMILES O=C1C2=CC=C(O)C=C2OC1C1OC12C=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2 MNX internals InChI (mnx) InChI=1/C21H22O10/c22-8-13-15(25)16(26)17(27)20(30-13)28-10-3-5-21(6-4-10)19(31-21)18-14(24)11-2-1-9(23)7-12(11)29-18/h1-7,10,13,15-20,22-23,25-27H,8H2/t10?,13-,15-,16+,17-,18?,19?,20-,21?/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:11]2=[C:12]([CH:7]=[C:9]1[OH:23])[O:29][CH:18]([CH:19]1[C:21]3([CH:5]=[CH:3][CH:10]([O:28][C@H:20]4[C@H:17]([OH:27])[C@@H:16]([OH:26])[C@H:15]([OH:25])[C@@H:13]([CH2:8][OH:22])[O:30]4)[CH:4]=[CH:6]3)[O:31]1)[C:14]2=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0