input word = C00005898

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-hydroxypropionylglucoside)-4'-glucoside
Formula C30H34O18
Mw 682.17451429
CAS RN 83299-93-8
C_ID C00005898 ,
InChIKey NJUUYWGBPAUMFI-DXHZDJCBNA-N
InChICode InChI=1S/C30H34O18/c1-10(33)28(42)47-27-23(40)20(37)17(9-32)46-30(27)48-26-21(38)18-14(35)6-12(34)7-15(18)44-25(26)11-2-4-13(5-3-11)43-29-24(41)22(39)19(36)16(8-31)45-29/h2-7,10,16-17,19-20,22-24,27,29-37,39-41H,8-9H2,1H3/t10-,16+,17+,19+,20+,22-,23+,24+,27-,29+,30-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)[C@@H](O)C)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeSisymbrium gilliesii Ref.
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OrganismSisymbrium gilliesii
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Aguinagalde,Phytochem.,21,(1982),2875