input word = C00005906

Metabolite InformationStructural formula
Name Kaempferol 3-rhamnosyl-(1->2)(6''-acetylgalactoside)-7-rhamnoside
Formula C35H42O20
Mw 782.22694379
CAS RN 124027-50-5
C_ID C00005906 ,
InChIKey PWWMGQJEFDUFKG-XUVMGCDENA-N
InChICode InChI=1S/C35H42O20/c1-11-21(39)25(43)28(46)33(49-11)51-16-8-17(38)20-18(9-16)52-30(14-4-6-15(37)7-5-14)31(24(20)42)54-35-32(27(45)23(41)19(53-35)10-48-13(3)36)55-34-29(47)26(44)22(40)12(2)50-34/h4-9,11-12,19,21-23,25-29,32-35,37-41,43-47H,10H2,1-3H3/t11-,12+,19-,21+,22+,23+,25+,26+,27+,28-,29+,32+,33+,34+,35+/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
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