input word = C00011155

Metabolite InformationStructural formula
Name Nilocitin
2,3-di-O-Galloylglucose
Formula C20H20O14
Mw 484.08530535
CAS RN 88943-00-4
C_ID C00011155 ,
InChIKey VMUAPFBVKYTMFJ-KELUSYQMNA-N
InChICode InChI=1S/C20H20O14/c21-5-13(27)17(30)18(34-20(32)8-3-11(25)16(29)12(26)4-8)14(6-22)33-19(31)7-1-9(23)15(28)10(24)2-7/h1-4,6,13-14,17-18,21,23-30H,5H2/t13-,14+,17-,18-/m1/s1
SMILES c1c(cc(c(c1O)O)O)C(=O)O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaeEugenia jambolana Ref.
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