input word = C00005318

Metabolite InformationStructural formula
Name 6-Methoxykaempferol 3-glucuronide
Formula C22H20O13
Mw 492.09039073
CAS RN 118637-02-8
C_ID C00005318 ,
InChIKey SADAYGMLZASKCJ-MQLOOEFCNA-N
InChICode InChI=1S/C22H20O13/c1-32-18-9(24)6-10-11(12(18)25)13(26)19(17(33-10)7-2-4-8(23)5-3-7)34-22-16(29)14(27)15(28)20(35-22)21(30)31/h2-6,14-16,20,22-25,27-29H,1H3,(H,30,31)/t14-,15-,16+,20-,22+/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(cc1)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica montana Ref.
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