input word = C00013809

Metabolite InformationStructural formula
Name Kaempferol 3-methyl ether 7-glucuronide
Bracteoside
5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C22H20O12
Mw 476.09547611
CAS RN 352312-68-6
C_ID C00013809 ,
InChIKey DKWQRYDJKSHULB-JFDJYVSTNA-N
InChICode InChI=1S/C22H20O12/c1-31-19-14(25)13-11(24)6-10(7-12(13)33-18(19)8-2-4-9(23)5-3-8)32-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1OC)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea bracteata Ref.
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