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 O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Corsinia coriandrina Ref.
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