Isorhamnetin 3-sophoroside-7-rhamnoside

Properties Image MNX_ID MNXM58257 reference lipidmapsM:LMPK12112353 formula C34H42O21 global charge 0 mol weight 786.689 InChIKey FJQKXKNZQQBTDD-IOCIRFPBSA-N InChI InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)50-12-6-14(38)19-16(7-12)51-29(11-3-4-13(37)15(5-11)48-2)30(23(19)42)54-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32-,33-,34-/m0/s1 SMILES COC1=C(O)C=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(C=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O)O2)=C1 MNX internals InChI (mnx) InChI=1/C34H42O21/c1-10-20(39)24(43)27(46)32(49-10)50-12-6-14(38)19-16(7-12)51-29(11-3-4-13(37)15(5-11)48-2)30(23(19)42)54-34-31(26(45)22(41)18(9-36)53-34)55-33-28(47)25(44)21(40)17(8-35)52-33/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3/t10-,17+,18+,20-,21+,22+,24+,25-,26-,27+,28+,31+,32-,33-,34-/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[C@H:20]([OH:39])[C@@H:24]([OH:43])[C@@H:27]([OH:46])[C@H:32]([O:50][C:12]2=[CH:6][C:14]([OH:38])=[C:19]3[C:16](=[CH:7]2)[O:51][C:29]([C:11]2=[CH:5][C:15]([O:48][CH3:2])=[C:13]([OH:37])[CH:4]=[CH:3]2)=[C:30]([O:54][C@H:34]2[C@H:31]([O:55][C@H:33]4[C@H:28]([OH:47])[C@@H:25]([OH:44])[C@H:21]([OH:40])[C@@H:17]([CH2:8][OH:35])[O:52]4)[C@@H:26]([OH:45])[C@H:22]([OH:41])[C@@H:18]([CH2:9][OH:36])[O:53]2)[C:23]3=[O:42])[O:49]1

Parent-child relations graph

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