1,2,3,6-tetrakis-O-galloyl-beta-D-glucose

Properties Image MNX_ID MNXM3772 reference chebi:17527 formula C34H28O22 global charge 0 mol weight 788.576 InChIKey RATQVALKDAUZBW-XPMKZLBQSA-N InChI InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1 SMILES O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1 SMILES (mnx) [CH:1]1=[C:10]([C:30](=[O:48])[O:52][CH2:9][C@@H:22]2[C@@H:27]([OH:47])[C@H:28]([O:54][C:31]([C:11]3=[CH:3][C:16]([OH:37])=[C:24]([OH:44])[C:17]([OH:38])=[CH:4]3)=[O:49])[C@@H:29]([O:55][C:32]([C:12]3=[CH:5][C:18]([OH:39])=[C:25]([OH:45])[C:19]([OH:40])=[CH:6]3)=[O:50])[C@H:34]([O:56][C:33]([C:13]3=[CH:7][C:20]([OH:41])=[C:26]([OH:46])[C:21]([OH:42])=[CH:8]3)=[O:51])[O:53]2)[CH:2]=[C:15]([OH:36])[C:23]([OH:43])=[C:14]1[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0