input word = C00006062

Metabolite InformationStructural formula
Name Quercetin 3'-glucoside-7-acetate
Formula C23H22O13
Mw 506.10604079
CAS RN
C_ID C00006062 ,
InChIKey YPRSSMIANKNTIN-UFROUNSFNA-N
InChICode InChI=1S/C23H22O13/c1-8(25)33-10-5-12(27)16-14(6-10)34-22(20(31)18(16)29)9-2-3-11(26)13(4-9)35-23-21(32)19(30)17(28)15(7-24)36-23/h2-6,15,17,19,21,23-24,26-28,30-32H,7H2,1H3/t15-,17-,19+,21-,23-/m1/s1
SMILES CC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAesculus hippocastanum Ref.
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