input word = C00004524

Metabolite InformationStructural formula
Name 5,7,8,2'-Tetrahydroxyflavone 7-glucuronide
5,8-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C21H18O12
Mw 462.07982604
CAS RN 133640-36-5
C_ID C00004524 ,
InChIKey WGXBGWWLLVKSCI-LSTNJCEPNA-N
InChICode InChI=1S/C21H18O12/c22-8-4-2-1-3-7(8)11-5-9(23)13-10(24)6-12(14(25)18(13)31-11)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)/t15-,16-,17+,19-,21+/m0/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccccc1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria rivularis Ref.
zoom in