input word = C00005801

Metabolite InformationStructural formula
Name 6-C-Methylkaempferol 3-glucoside
Formula C22H22O11
Mw 462.11621155
CAS RN 68116-36-9
C_ID C00005801 ,
InChIKey CBSZNHSSZDGQIX-UWKRGFSFNA-N
InChICode InChI=1S/C22H22O11/c1-8-11(25)6-12-14(15(8)26)17(28)21(20(31-12)9-2-4-10(24)5-3-9)33-22-19(30)18(29)16(27)13(7-23)32-22/h2-6,13,16,18-19,22-27,29-30H,7H2,1H3/t13-,16-,18+,19-,22+/m1/s1
SMILES Cc1c(O)cc2oc(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus contorta Ref.
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