input word = C00004245

Metabolite InformationStructural formula
Name Acacetin 7-(6''-acetylglucoside)
Formula C24H24O11
Mw 488.13186161
CAS RN 76410-61-2
C_ID C00004245 ,
InChIKey KSWNCDDLOQQQKB-WXVMNYTINA-N
InChICode InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)33-14-7-15(26)20-16(27)9-17(34-18(20)8-14)12-3-5-13(31-2)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21+,22+,23+,24-/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAgastache rugosa Ref.
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OrganismAgastache rugosa
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Zakharova,Khim.Prir.Soedin.,(1979),642