1,2,6-tris-O-galloyl-beta-D-glucose

Properties Image MNX_ID MNXM723194 reference chebi:27395 formula C27H24O18 global charge 0 mol weight 636.471 InChIKey LLENXGNWVNSBQG-VFTFQOQOSA-N InChI InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/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](O)[C@@H]1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1 SMILES (mnx) [CH:1]1=[C:8]([C:24](=[O:39])[O:42][CH2:7][C@@H:17]2[C@@H:21]([OH:37])[C@H:22]([OH:38])[C@@H:23]([O:44][C:25]([C:9]3=[CH:3][C:13]([OH:30])=[C:19]([OH:35])[C:14]([OH:31])=[CH:4]3)=[O:40])[C@H:27]([O:45][C:26]([C:10]3=[CH:5][C:15]([OH:32])=[C:20]([OH:36])[C:16]([OH:33])=[CH:6]3)=[O:41])[O:43]2)[CH:2]=[C:12]([OH:29])[C:18]([OH:34])=[C:11]1[OH:28]

Parent-child relations graph

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