input word = C00004150

Metabolite InformationStructural formula
Name Apigenin 4'-glucuronide
Formula C21H18O11
Mw 446.08491142
CAS RN 51771-57-4
C_ID C00004150 ,
InChIKey NKRGFKAFZUDVES-PNSIFLDANA-N
InChICode InChI=1S/C21H18O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysanthemum cinerariifolium Ref.
PlantaeFabaceaeMedicago sativa Ref.
zoom in