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 COC(=O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum equiseiforme Ref.
PlantaePolygonaceaePolygonum perfoliatum Ref.
PlantaeTamaricaceaeTamarix nilotica Ref.
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