input word = C00004203

Metabolite InformationStructural formula
Name Acacetin 7-O-beta-D-glucuronide
Acacetin 7-glucuronide
Formula C22H20O11
Mw 460.10056148
CAS RN 38226-83-4
C_ID C00004203 ,
InChIKey ZWVNKIJIVBIMSW-ACYPGOOPNA-N
InChICode InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)14-8-13(24)16-12(23)6-11(7-15(16)32-14)31-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCirsium arvense Ref.
PlantaeLabiataeTripora divaricata Ref.
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OrganismCirsium arvense
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Shelyuto,Khim.Prir.Soedin.,8,(1972),240