input word = C00004470

Metabolite InformationStructural formula
Name 8-Hydroxytricetin 7-glucuronide
Formula C21H18O14
Mw 494.06965529
CAS RN 119262-69-0
C_ID C00004470 ,
InChIKey GEISOXGZDVPJOC-LSTNJCEPNA-N
InChICode InChI=1S/C21H18O14/c22-6-3-10(5-1-8(24)13(26)9(25)2-5)33-18-12(6)7(23)4-11(14(18)27)34-21-17(30)15(28)16(29)19(35-21)20(31)32/h1-4,15-17,19,21,23-30H,(H,31,32)/t15-,16-,17+,19-,21+/m0/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis Ref.
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