input word = C00005654

Metabolite InformationStructural formula
Name Quercetagetin 3'-methyl ether 7-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 29741-08-0
C_ID C00005654 ,
InChIKey WJYMEDBNOOSKGW-FDWWAZLMNA-N
InChICode InChI=1S/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3/t12-,15+,18-,20+,22+/m0/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea sp. Ref.
PlantaeAsteraceaeChrysanthemum coronarium Ref.
PlantaeAsteraceaeClibadium spp. Ref.
PlantaeAsteraceaeDesmanthodium perfoliatum Ref.
PlantaeAsteraceaeLepidophorum repandum Ref.
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