input word = C00005653

Metabolite InformationStructural formula
Name Quercetagetin 3'-methyl ether 3-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN 128351-79-1
C_ID C00005653 ,
InChIKey WKICMFGWSYLLKH-DEGUQQANNA-N
InChICode InChI=1S/C22H22O13/c1-32-10-4-7(2-3-8(10)24)20-21(35-22-19(31)18(30)15(27)12(6-23)34-22)17(29)13-11(33-20)5-9(25)14(26)16(13)28/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15-,18-,19-,22+/m1/s1
SMILES COc1cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium tinifolium Ref.
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