input word = C00005375

Metabolite InformationStructural formula
Name Quercetin 3-galacturonide
Formula C21H18O13
Mw 478.07474066
CAS RN 74336-89-3
C_ID C00005375 ,
InChIKey DUBCCGAQYVUYEU-PJJADAQENA-N
InChICode InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19+,21-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Corsinia coriandrina Ref.
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