Met006573: p-Hydroxybenzyldesulphoglucosinolate
Metabolite Information
Name
p-Hydroxybenzyldesulphoglucosinolate
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxy-2-(4-hydroxyphenyl)ethanimidothioate
Molecular Formula
C14H19NO7S
Molecular Weight
345.37
Exact Mass
345.0882231
SMILES
C1=CC(=CC=C1CC(=NO)SC2C(C(C(C(O2)CO)O)O)O)O
InChIKey
SOUNOQPUSGGIJJ-RFEZBLSLSA-N
InChI
InChI=1S/C14H19NO7S/c16-6-9-11(18)12(19)13(20)14(22-9)23-10(15-21)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-21H,5-6H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
okra
Metabolite Spectrum Accession Label