Acuminoside

Properties Image MNX_ID MNXM118823 reference chebi:168502 formula C21H36O10 global charge 0 mol weight 448.509 InChIKey RFFYIBOJHUSIGD-QPEQYQDCSA-N InChI InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7- SMILES CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-/t14?,15?,16?,17?,18?,19?,20?,21? SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:13]([CH3:3])=[CH:7]\[CH2:8][O:28][CH:19]1[CH:17]([OH:25])[CH:16]([OH:24])[CH:15]([OH:23])[CH:14]([CH2:9][O:29][CH:20]2[CH:18]([OH:26])[C:21]([CH2:10][OH:22])([OH:27])[CH2:11][O:30]2)[O:31]1

Parent-child relations graph

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