input word = C00013865

Metabolite InformationStructural formula
Name Quercetin 3-(2''-acetylgalactoside)
3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C23H22O13
Mw 506.10604079
CAS RN 439266-62-3
C_ID C00013865 ,
InChIKey AIHKAQUFJMNPAR-WSJCVKEZNA-N
InChICode InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3/t15-,17-,19-,22+,23-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)C)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum perforatum Ref.
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