input word = C00036640

Metabolite InformationStructural formula
Name Prunasin 6'-O-gallate
(-)-6'-O-Galloylprunasin
Formula C21H21NO10
Mw 447.1165459
CAS RN 379693-30-8
C_ID C00036640 ,
InChIKey BYILEHCAHZEAIX-WKUONGIENA-N
InChICode InChI=1S/C21H21NO10/c22-8-14(10-4-2-1-3-5-10)31-21-19(28)18(27)17(26)15(32-21)9-30-20(29)11-6-12(23)16(25)13(24)7-11/h1-7,14-15,17-19,21,23-28H,9H2/t14-,15+,17+,18-,19+,21+/m0/s1
SMILES [C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H](c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Monochaetun multiflorum Ref.
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OrganismMonochaetun multiflorum
ReferenceIsaza,Phytochem.,58,(2001),321