input word = C00013714

Metabolite InformationStructural formula
Name Tricetin 3'-methyl ether 7-glucuronide
2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C22H20O13
Mw 492.09039073
CAS RN 380468-48-4
C_ID C00013714 ,
InChIKey VIYRBNJECSXYSN-ACYPGOOPNA-N
InChICode InChI=1S/C22H20O13/c1-32-14-3-7(2-11(25)16(14)26)12-6-10(24)15-9(23)4-8(5-13(15)34-12)33-22-19(29)17(27)18(28)20(35-22)21(30)31/h2-6,17-20,22-23,25-29H,1H3,(H,30,31)/t17-,18-,19-,20-,22+/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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