input word = C00004204

Metabolite InformationStructural formula
Name Acacetin 7-(6''-methylglucuronide)
Formula C23H22O11
Mw 474.11621155
CAS RN 79076-87-2
C_ID C00004204 ,
InChIKey NCDRCVIENURMRZ-CJKJZXGWNA-N
InChICode InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21+,23+/m0/s1
SMILES COC(=O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum infortunatum Ref.
zoom in