input word = C00004491

Metabolite InformationStructural formula
Name Scutellarein 6,7-dimethyl ether 4'-glucuronide
4-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid
Formula C23H22O12
Mw 490.11112617
CAS RN 149947-23-9
C_ID C00004491 ,
InChIKey FAKLXTCIXLJJOQ-JHINVBDONA-N
InChICode InChI=1S/C23H22O12/c1-31-14-8-13-15(16(25)20(14)32-2)11(24)7-12(34-13)9-3-5-10(6-4-9)33-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18+,19-,21+,23-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza linifolia Ref.
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