Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside)

Properties Image MNX_ID MNXM127588 reference chebi:196411 formula C33H28O17 global charge 0 mol weight 696.57 InChIKey KLKOBSQIPPYKDT-UHFFFAOYSA-N InChI InChI=1S/C33H28O17/c34-15-4-1-12(2-5-15)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2 SMILES O=C(OCC1OC(C2=C(O)C(C(=O)C3=CC(O)=C(O)C=C3)=C(O)C=C2O)C(OC(=O)C2=CC=C(O)C=C2)C(O)C1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C33H28O17/c34-15-4-1-12(2-5-15)33(47)50-31-29(45)27(43)22(11-48-32(46)14-8-20(39)26(42)21(40)9-14)49-30(31)24-19(38)10-18(37)23(28(24)44)25(41)13-3-6-16(35)17(36)7-13/h1-10,22,27,29-31,34-40,42-45H,11H2/t22?,27?,29?,30?,31? SMILES (mnx) [CH:1]1=[CH:4][C:15]([OH:34])=[CH:5][CH:2]=[C:12]1[C:33](=[O:47])[O:50][CH:31]1[CH:29]([OH:45])[CH:27]([OH:43])[CH:22]([CH2:11][O:48][C:32]([C:14]2=[CH:8][C:20]([OH:39])=[C:26]([OH:42])[C:21]([OH:40])=[CH:9]2)=[O:46])[O:49][CH:30]1[C:24]1=[C:19]([OH:38])[CH:10]=[C:18]([OH:37])[C:23]([C:25]([C:13]2=[CH:7][C:17]([OH:36])=[C:16]([OH:35])[CH:6]=[CH:3]2)=[O:41])=[C:28]1[OH:44]

Parent-child relations graph

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