input word = C00013868

Metabolite InformationStructural formula
Name Quercetin 7-(6''-acetylglucoside)
7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
Formula C23H22O13
Mw 506.10604079
CAS RN 72659-74-6
C_ID C00013868 ,
InChIKey VCENEKCOSRMNSZ-UFROUNSFNA-N
InChICode InChI=1S/C23H22O13/c1-8(24)33-7-15-17(28)19(30)21(32)23(36-15)34-10-5-13(27)16-14(6-10)35-22(20(31)18(16)29)9-2-3-11(25)12(26)4-9/h2-6,15,17,19,21,23,25-28,30-32H,7H2,1H3/t15-,17-,19+,21-,23-/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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