input word = C00005236

Metabolite InformationStructural formula
Name Kaempferol 3-neohesperidoside-7-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 78527-48-7
C_ID C00005236 ,
InChIKey IYFMBSVAOKIIHT-IBFFROALNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(47-10)53-30-25(44)21(40)17(9-35)51-33(30)52-29-22(41)18-14(37)6-13(48-32-27(46)24(43)20(39)16(8-34)50-32)7-15(18)49-28(29)11-2-4-12(36)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 CC1O[C@@H](OC2C(O)[C@H](O)C(CO)O[C@H]2Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTrilliaceaeParis verticillata Ref.
zoom in