Kaempferol 3-(2G-rhamnosylgentiobioside)

Properties Image MNX_ID MNXM58652 reference lipidmapsM:LMPK12111754 formula C33H40O20 global charge 0 mol weight 756.663 InChIKey PSVKHLFIIZQISP-CFRIXVKNSA-N InChI InChI=1S/C33H40O20/c1-10-19(38)23(42)27(46)32(48-10)53-30-25(44)21(40)17(9-47-31-26(45)24(43)20(39)16(8-34)50-31)51-33(30)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1 SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=C(C4=CC=C(O)C=C4)OC4=C(C3=O)C(O)=CC(O)=C4)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C33H40O20/c1-10-19(38)23(42)27(46)32(48-10)53-30-25(44)21(40)17(9-47-31-26(45)24(43)20(39)16(8-34)50-31)51-33(30)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[C@H:19]([OH:38])[C@@H:23]([OH:42])[C@@H:27]([OH:46])[C@H:32]([O:53][C@@H:30]2[C@@H:25]([OH:44])[C@H:21]([OH:40])[C@@H:17]([CH2:9][O:47][C@H:31]3[C@H:26]([OH:45])[C@@H:24]([OH:43])[C@H:20]([OH:39])[C@@H:16]([CH2:8][OH:34])[O:50]3)[O:51][C@H:33]2[O:52][C:29]2=[C:28]([C:11]3=[CH:3][CH:5]=[C:12]([OH:35])[CH:4]=[CH:2]3)[O:49][C:15]3=[CH:7][C:13]([OH:36])=[CH:6][C:14]([OH:37])=[C:18]3[C:22]2=[O:41])[O:48]1

Parent-child relations graph

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