2-Cinnamoyl-1-galloyl-beta-D-glucopyranose

Properties Image MNX_ID MNXM116679 reference chebi:191830 formula C22H22O11 global charge 0 mol weight 462.407 InChIKey FISMJUPMCGKNNX-SREVYHEPSA-N InChI InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6- SMILES O=C(/C=C\C1=CC=CC=C1)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(CO)C(O)C1O MNX internals InChI (mnx) InChI=1/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6-/t15?,18?,19?,20?,22? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:11](/[CH:6]=[CH:7]\[C:16](=[O:26])[O:32][CH:20]2[CH:19]([OH:29])[CH:18]([OH:28])[CH:15]([CH2:10][OH:23])[O:31][CH:22]2[O:33][C:21]([C:12]2=[CH:8][C:13]([OH:24])=[C:17]([OH:27])[C:14]([OH:25])=[CH:9]2)=[O:30])[CH:5]=[CH:3]1

Parent-child relations graph

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