Glucodistylin

Properties Image MNX_ID MNXM126132 reference chebi:177943 formula C21H22O12 global charge 0 mol weight 466.395 InChIKey FVQOMEDMFUMIMO-UHFFFAOYSA-N InChI InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2 SMILES O=C1C2=C(C=C(O)C=C2O)OC(C2=CC(O)=C(O)C=C2)C1OC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13?,15?,17?,18?,19?,20?,21? SMILES (mnx) [CH:1]1=[CH:2][C:9]([OH:24])=[C:10]([OH:25])[CH:3]=[C:7]1[CH:19]1[CH:20]([O:33][CH:21]2[CH:18]([OH:30])[CH:17]([OH:29])[CH:15]([OH:27])[CH:13]([CH2:6][OH:22])[O:32]2)[C:16](=[O:28])[C:14]2=[C:11]([OH:26])[CH:4]=[C:8]([OH:23])[CH:5]=[C:12]2[O:31]1

Parent-child relations graph

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