input word = C00013751

Metabolite InformationStructural formula
Name Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->4)-glucoside]
Formula C33H40O20
Mw 756.21129372
CAS RN
C_ID C00013751 ,
InChIKey FXNKGFIBIHHKLE-QIUPLXMFNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(39)22(42)24(44)31(47-10)53-30-26(46)28(51-32-25(45)23(43)20(40)16(8-34)49-32)17(9-35)50-33(30)52-29-21(41)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-20,22-26,28,30-40,42-46H,8-9H2,1H3/t10-,16-,17-,19+,20-,22-,23+,24+,25-,26+,28-,30-,31+,32+,33+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium neapolitanum Ref.
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