1,2,4-Trigalloyl-beta-D-glucopyranose

Properties Image MNX_ID MNXM115695 reference hmdb:HMDB0031745 formula C27H24O18 global charge 0 mol weight 636.471 InChIKey QIMAAFXJNKMZMG-UHFFFAOYSA-N InChI InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2 SMILES O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17?,21?,22?,23?,27? SMILES (mnx) [CH:1]1=[C:8]([C:24](=[O:39])[O:43][CH:22]2[CH:17]([CH2:7][OH:28])[O:42][CH:27]([O:45][C:26]([C:10]3=[CH:5][C:15]([OH:33])=[C:20]([OH:37])[C:16]([OH:34])=[CH:6]3)=[O:41])[CH:23]([O:44][C:25]([C:9]3=[CH:3][C:13]([OH:31])=[C:19]([OH:36])[C:14]([OH:32])=[CH:4]3)=[O:40])[CH:21]2[OH:38])[CH:2]=[C:12]([OH:30])[C:18]([OH:35])=[C:11]1[OH:29]

Parent-child relations graph

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