input word = C00005384

Metabolite InformationStructural formula
Name Quercetin 7-glucuronide
Formula C21H18O13
Mw 478.07474066
CAS RN 38934-20-2
C_ID C00005384 ,
InChIKey JXWGCVLNCGCZRU-UQOQZCQMNA-N
InChICode InChI=1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17-,19+,21+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)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
PlantaeScrophulariaceaeVerbascum lychnitis Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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