input word = C00005201

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Formula C33H40O20
Mw 756.21129372
CAS RN 134953-94-9
C_ID C00005201 ,
InChIKey MFIXKYXSBNIMPX-SLKLAXKNNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17-,19-,20+,21-,23-,24+,25+,26-,27+,29-,31+,32-,33-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
zoom in