Isolimonic acid glucoside

Properties Image MNX_ID MNXM126883 reference chebi:178154 formula C32H44O15 global charge 0 mol weight 668.689 InChIKey KEITVHVZENPMPG-UHFFFAOYSA-N InChI InChI=1S/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42) SMILES CC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)C2=COC=C2)C12OC2C(=O)O MNX internals InChI (mnx) InChI=1/C32H44O15/c1-28(2)17-9-18(34)30(4)16(31(17,13-44-28)19(35)10-20(36)37)5-7-29(3,32(30)25(47-32)26(41)42)24(14-6-8-43-12-14)46-27-23(40)22(39)21(38)15(11-33)45-27/h6,8,12,15-17,19,21-25,27,33,35,38-40H,5,7,9-11,13H2,1-4H3,(H,36,37)(H,41,42)/t15?,16?,17?,19?,21?,22?,23?,24?,25?,27?,29?,30?,31?,32? SMILES (mnx) [CH3:1][C:28]1([CH3:2])[CH:17]2[CH2:9][C:18](=[O:34])[C:30]3([CH3:4])[CH:16]([CH2:5][CH2:7][C:29]([CH3:3])([CH:24]([C:14]4=[CH:12][O:43][CH:8]=[CH:6]4)[O:46][CH:27]4[CH:23]([OH:40])[CH:22]([OH:39])[CH:21]([OH:38])[CH:15]([CH2:11][OH:33])[O:45]4)[C:32]34[CH:25]([C:26](=[O:41])[OH:42])[O:47]4)[C:31]2([CH:19]([CH2:10][C:20](=[O:36])[OH:37])[OH:35])[CH2:13][O:44]1

Parent-child relations graph

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