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 c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAesculus hippocastanum Ref.
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