input word = C00005377

Metabolite InformationStructural formula
Name Quercetin 3-(6''-methylglucuronide)
Quercetin 3-O-beta-D-glucuronide methyl ester
Formula C22H20O13
Mw 492.09039073
CAS RN 79543-28-5
C_ID C00005377 ,
InChIKey DAKHAONGVOPWRO-GAOPBNHONA-N
InChICode InChI=1S/C22H20O13/c1-32-21(31)20-16(29)15(28)17(30)22(35-20)34-19-14(27)13-11(26)5-8(23)6-12(13)33-18(19)7-2-3-9(24)10(25)4-7/h2-6,15-17,20,22-26,28-30H,1H3/t15-,16-,17+,20-,22+/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)OC)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum equiseiforme Ref.
PlantaePolygonaceaePolygonum perfoliatum Ref.
PlantaeTamaricaceaeTamarix nilotica Ref.
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