input word = C00005661

Metabolite InformationStructural formula
Name Quercetagetin 3,3'-dimethyl ether 7-glucoside
Formula C23H24O13
Mw 508.12169086
CAS RN
C_ID C00005661 ,
InChIKey RCEFANLBVZSGRB-ZIWCDVOENA-N
InChICode InChI=1S/C23H24O13/c1-32-10-5-8(3-4-9(10)25)21-22(33-2)18(29)14-11(34-21)6-12(15(26)17(14)28)35-23-20(31)19(30)16(27)13(7-24)36-23/h3-6,13,16,19-20,23-28,30-31H,7H2,1-2H3/t13-,16+,19-,20+,23+/m0/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c(O)c3c(=O)c2OC)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeClibadium terebinthinaceum Ref.
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