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 c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O
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