input word = C00004526

Metabolite InformationStructural formula
Name 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide
2-(5-Hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)-3-methoxyphenyl beta-D-glucopyranosiduronic acid
Formula C24H24O13
Mw 520.12169086
CAS RN 133640-37-6
C_ID C00004526 ,
InChIKey PQLPFYVPSLASRG-JGCUXNDANA-N
InChICode InChI=1S/C24H24O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-8,17-19,22,24,26-29H,1-3H3,(H,30,31)/t17-,18-,19+,22+,24+/m0/s1
SMILES c1(cc(c2c(c1OC)oc(cc2=O)c1c(cccc1O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rivularis Ref.
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