input word = C00006069

Metabolite InformationStructural formula
Name Quercetin 3-glucuronide-7-sulfate
Formula C21H18O16S
Mw 558.03155526
CAS RN 56857-62-6
C_ID C00006069 ,
InChIKey UZHUMGQOPXDLRD-NTEJZTTHNA-N
InChICode InChI=1S/C21H18O16S/c22-8-2-1-6(3-9(8)23)17-18(35-21-16(28)14(26)15(27)19(36-21)20(29)30)13(25)12-10(24)4-7(5-11(12)34-17)37-38(31,32)33/h1-5,14-16,19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15+,16-,19+,21-/m1/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(c(c1)O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFrankeniaceaeFrankenia pulverulenta Ref.
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