input word = C00013795

Metabolite InformationStructural formula
Name Kaempferol 3-O-[2''-(4'''-acetyl-rhamnosyl)-6''-glucosyl] glucoside
Formula C35H42O21
Mw 798.22185841
CAS RN 220716-15-4
C_ID C00013795 ,
InChIKey GLBNIGIHMJUSCH-AVBLHKCMNA-N
InChICode InChI=1S/C35H42O21/c1-11-29(51-12(2)37)26(46)28(48)34(50-11)56-32-25(45)22(42)19(10-49-33-27(47)24(44)21(41)18(9-36)53-33)54-35(32)55-31-23(43)20-16(40)7-15(39)8-17(20)52-30(31)13-3-5-14(38)6-4-13/h3-8,11,18-19,21-22,24-29,32-36,38-42,44-48H,9-10H2,1-2H3/t11-,18+,19+,21+,22+,24-,25-,26+,27+,28-,29-,32-,33+,34-,35-/m0/s1
SMILES CC(=O)O[C@H]1C(C)O[C@@H](OC2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@@H]2O)[C@@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAmmi majus Ref.
zoom in