input word = C00004179

Metabolite InformationStructural formula
Name Apigenin 7-(2''-acetyl-6''-methylglucuronide)
Formula C24H22O12
Mw 502.11112617
CAS RN 137162-04-0
C_ID C00004179 ,
InChIKey UIAVWDXUPQFAJB-PBLSHDPWNA-N
InChICode InChI=1S/C24H22O12/c1-10(25)33-22-20(30)19(29)21(23(31)32-2)36-24(22)34-13-7-14(27)18-15(28)9-16(35-17(18)8-13)11-3-5-12(26)6-4-11/h3-9,19-22,24,26-27,29-30H,1-2H3/t19-,20-,21-,22-,24+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
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