Cymorcin diglucoside

Properties Image MNX_ID MNXM124126 reference chebi:188309 formula C22H34O12 global charge 0 mol weight 490.502 InChIKey STVIMSVCYHRGIY-UHFFFAOYSA-N InChI InChI=1S/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3 SMILES CC1=C(OC2OC(CO)C(O)C(O)C2O)C=C(C(C)C)C=C1OC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C22H34O12/c1-8(2)10-4-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)12(5-10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22? SMILES (mnx) [CH3:1][CH:8]([CH3:2])[C:10]1=[CH:4][C:11]([O:31][CH:21]2[CH:19]([OH:29])[CH:17]([OH:27])[CH:15]([OH:25])[CH:13]([CH2:6][OH:23])[O:33]2)=[C:9]([CH3:3])[C:12]([O:32][CH:22]2[CH:20]([OH:30])[CH:18]([OH:28])[CH:16]([OH:26])[CH:14]([CH2:7][OH:24])[O:34]2)=[CH:5]1

Parent-child relations graph

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