(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside]

Properties Image MNX_ID MNXM115148 reference chebi:168618 formula C39H62O18 global charge 0 mol weight 818.907 InChIKey BFNFFYBOJHJTBC-UHFFFAOYSA-N InChI InChI=1S/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3 SMILES C=CC(C)(CC1=C(C(=C)C)CCC(C)=C1)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O MNX internals InChI (mnx) InChI=1/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3/t17?,18?,19?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? SMILES (mnx) [CH2:1]=[CH:9][C:39]([CH3:8])([CH2:13][C:20]1=[C:21]([C:15](=[CH2:2])[CH3:3])[CH2:11][CH2:10][C:16]([CH3:4])=[CH:12]1)[O:57][CH:38]1[CH:34]([O:56][CH:37]2[CH:32]([OH:49])[CH:29]([OH:46])[CH:33]([O:55][CH:36]3[CH:31]([OH:48])[CH:27]([OH:44])[CH:24]([OH:41])[CH:18]([CH3:6])[O:52]3)[CH:19]([CH3:7])[O:53]2)[CH:28]([OH:45])[CH:25]([OH:42])[CH:22]([CH2:14][O:50][CH:35]2[CH:30]([OH:47])[CH:26]([OH:43])[CH:23]([OH:40])[CH:17]([CH3:5])[O:51]2)[O:54]1

Parent-child relations graph

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