input word = C00013811

Metabolite InformationStructural formula
Name Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside]
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C33H40O19
Mw 740.2163791
CAS RN 319481-53-3
C_ID C00013811 ,
InChIKey OIFYUPKGGZALHH-GJEHODHGNA-N
InChICode InChI=1S/C33H40O19/c1-11-20(37)24(41)27(44)31(48-11)47-10-18-22(39)25(42)30(52-32-26(43)21(38)16(36)9-46-32)33(50-18)51-29-23(40)19-15(35)7-14(45-2)8-17(19)49-28(29)12-3-5-13(34)6-4-12/h3-8,11,16,18,20-22,24-27,30-39,41-44H,9-10H2,1-2H3/t11-,16-,18+,20-,21+,22+,24+,25-,26+,27-,30-,31+,32+,33-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCestrum nocturnum Ref.
zoom in