input word = C00004525

Metabolite InformationStructural formula
Name 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
3-Hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid
Formula C23H22O13
Mw 506.10604079
CAS RN 133640-38-7
C_ID C00004525 ,
InChIKey MBIYPXWFHDINAY-VMBFVKBPNA-N
InChICode InChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16-,17+,18+,21-,23-/m1/s1
SMILES COc1cc(O)c2c(=O)cc(-c3c(O)cccc3O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)C(O)C3O)oc2c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rivularis Ref.
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