input word = C00056357

Metabolite InformationStructural formula
Name Laricitrin 3-glucuronide
Formula C22H20O14
Mw 508.08530535
CAS RN 1026666-46-5
C_ID C00056357
InChIKey NSHNYVJFIFGFGQ-NTKSAMNMSA-N
InChICode InChI=1S/C22H20O14/c1-33-11-3-6(2-9(25)13(11)26)18-19(14(27)12-8(24)4-7(23)5-10(12)34-18)35-22-17(30)15(28)16(29)20(36-22)21(31)32/h2-5,15-17,20,22-26,28-30H,1H3,(H,31,32)/t15-,16-,17+,20-,22+/m0/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera cv. Petit Verdot Ref.
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OrganismVitis vinifera cv. Petit Verdot
ReferenceTyakavkina, N.A. et al., Chem. Nat. Compd. (Engl. Transl.), 1974, 10, 170-174 (3-glucoside)