input word = C00013814

Metabolite InformationStructural formula
Name Kaempferol 7-methyl ether 3-neohesperidoside-4'-glucoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C34H42O20
Mw 770.22694379
CAS RN 446276-95-5
C_ID C00013814 ,
InChIKey COQHRDFLJUXFJY-VDMOPDHXNA-N
InChICode InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(48-11)54-31-26(44)22(40)18(10-36)52-34(31)53-30-23(41)19-15(37)7-14(47-2)8-16(19)50-29(30)12-3-5-13(6-4-12)49-33-28(46)25(43)21(39)17(9-35)51-33/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11-,17+,18+,20-,21-,22-,24+,25-,26-,27-,28+,31+,32-,33+,34-/m0/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCadaba glandulosa Ref.
zoom in



OrganismCadaba glandulosa
ReferenceGohar,Z.Naturforsch,57,(2002),216