input word = C00005903

Metabolite InformationStructural formula
Name Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Formula C35H42O20
Mw 782.22694379
CAS RN 154623-30-0
C_ID C00005903 ,
InChIKey QLIZRNPMFYPDOG-GETQGYOVNA-N
InChICode InChI=1S/C35H42O20/c1-11-21(40)24(43)26(45)34(49-11)55-32-28(47)33(50-12(2)29(32)51-13(3)36)48-10-19-22(41)25(44)27(46)35(53-19)54-31-23(42)20-17(39)8-16(38)9-18(20)52-30(31)14-4-6-15(37)7-5-14/h4-9,11-12,19,21-22,24-29,32-35,37-41,43-47H,10H2,1-3H3/t11-,12+,19+,21+,22+,24+,25+,26-,27-,28-,29+,32+,33-,34+,35+/m1/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(C)[C@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus thymifolius Ref.
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