input word = C00005493

Metabolite InformationStructural formula
Name Quercetin 3-methyl ether 7-glucuronide
Formula C22H20O13
Mw 492.09039073
CAS RN 98751-52-1
C_ID C00005493 ,
InChIKey JIDFZGSERZHTFO-JFDJYVSTNA-N
InChICode InChI=1S/C22H20O13/c1-32-19-14(26)13-11(25)5-8(33-22-17(29)15(27)16(28)20(35-22)21(30)31)6-12(13)34-18(19)7-2-3-9(23)10(24)4-7/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OC)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
PlantaeAsteraceaeViguiera spp. Ref.
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