2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one

Properties Image MNX_ID MNXM147369 reference metacycM:CPD-17478 formula C21H22O11 global charge 0 mol weight 450.396 InChIKey NPIHSZVTLIVPAU-FFXKVATBSA-N InChI InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)21(31-14)29-11-4-1-9(2-5-11)19(32-28)20-15(24)12-6-3-10(23)7-13(12)30-20/h1-7,14,16-23,25-28H,8H2/t14-,16-,17+,18-,19?,20?,21-/m1/s1 SMILES O=C1C2=CC=C(O)C=C2OC1C(OO)C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C21H22O11/c22-8-14-16(25)17(26)18(27)21(31-14)29-11-4-1-9(2-5-11)19(32-28)20-15(24)12-6-3-10(23)7-13(12)30-20/h1-7,14,16-23,25-28H,8H2/t14-,16-,17+,18-,19?,20?,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][C:11]([O:29][C@H:21]2[C@H:18]([OH:27])[C@@H:17]([OH:26])[C@H:16]([OH:25])[C@@H:14]([CH2:8][OH:22])[O:31]2)=[CH:5][CH:2]=[C:9]1[CH:19]([CH:20]1[C:15](=[O:24])[C:12]2=[C:13]([CH:7]=[C:10]([OH:23])[CH:3]=[CH:6]2)[O:30]1)[O:32][OH:28]

Parent-child relations graph

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