input word = C00007816

Metabolite InformationStructural formula
Name 2(R)-Hydroxy-2-phenylethyl glucosinolate
Glucobarbarin
Formula C15H21NO10S2
Mw 439.06068736
CAS RN
C_ID C00007816 ,
InChIKey GAPDDBFHNYHZIS-VJRDDNEWNA-N
InChICode InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10+,12-,13-,14+,15+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N/OS(=O)(=O)O)/C[C@@H](c1ccccc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBarbarea orthoceras Ref.
PlantaeCruciferaeBarbarea vulgaris Ref.
PlantaeCruciferaeSelenia aurea Ref.
PlantaeCruciferaeSibara virginica Ref.
PlantaeResedaceaeCaylusea abyssinica Ref.
PlantaeResedaceaeReseda luteola Ref.
PlantaeResedaceaeSesamoides canescens Ref.
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OrganismBarbarea vulgaris
ReferenceDanielak,Dissertions Pharm.Pharmacol.,21,(1969),563