input word = C00005894

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-acetylglucoside)-7-rhamnoside
Formula C29H32O16
Mw 636.16903498
CAS RN 66465-24-5
C_ID C00005894 ,
InChIKey GMYLPJSOUAYAGD-ILMNSZFNNA-N
InChICode InChI=1S/C29H32O16/c1-10-19(33)22(36)24(38)28(41-10)42-14-7-15(32)18-16(8-14)43-26(12-3-5-13(31)6-4-12)27(21(18)35)45-29-25(39)23(37)20(34)17(44-29)9-40-11(2)30/h3-8,10,17,19-20,22-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,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)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum telmateja Ref.
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