Cinncassiol C1 19-glucoside

Properties Image MNX_ID MNXM120555 reference chebi:177927 formula C26H38O12 global charge 0 mol weight 542.578 InChIKey UUAKLIKPAJSLHI-UHFFFAOYSA-N InChI InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3 SMILES CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(=O)C13C)C(O)C(C)CCC24O MNX internals InChI (mnx) InChI=1/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3/t11?,12?,14?,16?,17?,18?,19?,20?,22?,23?,24?,25?,26? SMILES (mnx) [CH3:1][CH:11]1[CH2:5][CH2:6][C:24]2([OH:34])[C:22]3([CH3:3])[CH2:10][C:25]4([OH:35])[C:23]([CH3:4])([C:13]([CH:12]([CH3:2])[CH2:9][O:36][CH:20]5[CH:18]([OH:31])[CH:17]([OH:30])[CH:16]([OH:29])[CH:14]([CH2:8][OH:27])[O:37]5)=[CH:7][C:15]3=[O:28])[C:21](=[O:33])[C:26]2([CH:19]1[OH:32])[O:38]4

Parent-child relations graph

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