input word = C00013949

Metabolite InformationStructural formula
Name Quercetagetin 7-methyl ether 6-glucoside
2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C22H22O13
Mw 494.10604079
CAS RN 224623-24-9
C_ID C00013949 ,
InChIKey BEFLEGLDYKEXPG-MDAIRYCZNA-N
InChICode InChI=1S/C22H22O13/c1-32-11-5-10-13(15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7)16(28)21(11)35-22-19(31)17(29)14(26)12(6-23)34-22/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(c(c(c2)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTagetes mandonii Ref.
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