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 c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCirsium arvense Ref.
PlantaeLabiataeTripora divaricata Ref.
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