Canavalioside

Properties Image MNX_ID MNXM120146 reference chebi:168386 formula C26H42O12 global charge 0 mol weight 546.61 InChIKey HVFLAHBPOQXZBM-UHFFFAOYSA-N InChI InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34) SMILES CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CCC21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3 MNX internals InChI (mnx) InChI=1/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34)/t12?,13?,14?,15?,16?,17?,18?,19?,20?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][C:22]12[CH2:5][CH2:3][CH2:6][C:23]([CH3:2])([C:21](=[O:33])[OH:34])[CH:18]1[CH:17]([OH:31])[CH:19]([OH:32])[C:24]13[CH2:9][C:25]([OH:35])([CH2:7][CH2:4][CH:13]21)[C:26]([CH2:11][O:37][CH:20]1[CH:16]([OH:30])[CH:15]([OH:29])[CH:14]([OH:28])[CH:12]([CH2:8][OH:27])[O:38]1)([OH:36])[CH2:10]3

Parent-child relations graph

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