input word = C00005889

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-acetylglucoside)-7-glucoside
Formula C29H32O17
Mw 652.1639496
CAS RN 66465-23-4
C_ID C00005889 ,
InChIKey SJHGQJUHKMUKMS-NOLUQYLLNA-N
InChICode InChI=1S/C29H32O17/c1-10(31)41-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-14(33)6-13(42-28-24(39)22(37)19(34)16(8-30)44-28)7-15(18)43-26(27)11-2-4-12(32)5-3-11/h2-7,16-17,19-20,22-25,28-30,32-35,37-40H,8-9H2,1H3/t16-,17-,19+,20+,22-,23-,24+,25-,28+,29-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum telmateja Ref.
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