input word = C00005902

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Faralatroside
Formula C35H42O21
Mw 798.22185841
CAS RN 79395-74-7
C_ID C00005902 ,
InChIKey YUPYCKHOCPEDLM-CEFCOWSCNA-N
InChICode InChI=1S/C35H42O21/c1-11-29(51-12(2)37)32(56-34-26(46)24(44)21(41)18(9-36)53-34)28(48)33(50-11)49-10-19-22(42)25(45)27(47)35(54-19)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](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaeRhamnaceaeColubrina faralaotra Ref.
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