input word = C00011195

Metabolite InformationStructural formula
Name Kaempferol 3-(6'''-rhamnosyl-2'''-(6-malyl-glucosyl)-glucoside)
Formula C37H44O24
Mw 872.22225234
CAS RN 592522-42-4
C_ID C00011195 ,
InChIKey DYOWATUOYNIMNN-SCNJHDOFNA-N
InChICode InChI=1S/C37H44O24/c1-11-22(43)26(47)29(50)35(56-11)55-10-19-24(45)28(49)33(61-36-30(51)27(48)23(44)18(58-36)9-54-20(42)8-16(41)34(52)53)37(59-19)60-32-25(46)21-15(40)6-14(39)7-17(21)57-31(32)12-2-4-13(38)5-3-12/h2-7,11,16,18-19,22-24,26-30,33,35-41,43-45,47-51H,8-10H2,1H3,(H,52,53)/t11-,16+,18+,19-,22+,23+,24-,26-,27-,28+,29+,30+,33-,35-,36-,37+/m1/s1
SMILES c1cc(ccc1c1oc2c(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]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)COC(=O)C[C@H](O)C(=O)O)c(cc(c2)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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