input word = C00013765

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[O-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C39H50O24
Mw 902.26920253
CAS RN 214407-43-9
C_ID C00013765 ,
InChIKey WGIYIIVVCUJTAO-DHZOCMMJNA-N
InChICode InChI=1S/C39H50O24/c1-11-21(44)26(49)29(52)36(56-11)55-10-19-24(47)28(51)35(63-38-31(54)33(22(45)12(2)57-38)61-37-30(53)27(50)23(46)18(9-40)59-37)39(60-19)62-34-25(48)20-16(43)7-15(42)8-17(20)58-32(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-31,33,35-47,49-54H,9-10H2,1-2H3/t11-,12-,18+,19+,21-,22-,23+,24-,26+,27-,28-,29-,30+,31-,33+,35+,36+,37-,38-,39-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O[C@@H]3OC(C)[C@H](O)C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus aquifolium Ref.
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