input word = C00006065

Metabolite InformationStructural formula
Name Kaempferol 3-glucuronide-7-sulfate
Formula C21H18O15S
Mw 542.03664064
CAS RN 56857-61-5
C_ID C00006065 ,
InChIKey MSJQTZZHOBJVQR-NTEJZTTHNA-N
InChICode InChI=1S/C21H18O15S/c22-8-3-1-7(2-4-8)17-18(34-21-16(27)14(25)15(26)19(35-21)20(28)29)13(24)12-10(23)5-9(6-11(12)33-17)36-37(30,31)32/h1-6,14-16,19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15-,16+,19-,21+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(cc1)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFrankeniaceaeFrankenia pulverulenta Ref.
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