input word = C00005636

Metabolite InformationStructural formula
Name Quercetagetin 3-methyl ether 7-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 76060-29-2
C_ID C00005636 ,
InChIKey ACXKZFDCISQHGW-NRTGUHAZNA-N
InChICode InChI=1S/C22H22O13/c1-32-21-17(29)13-10(33-20(21)7-2-3-8(24)9(25)4-7)5-11(14(26)16(13)28)34-22-19(31)18(30)15(27)12(6-23)35-22/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15+,18-,19+,22+/m0/s1
SMILES COc1c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDesmanthodium spp. Ref.
PlantaeAsteraceaeInula viscosa Ref.
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena macrocephala Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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OrganismNeurolaena lobata
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Ulubelen,Phytochem.,19,(1980),1761

Bohm,Phytochem.,20,(1981),1573