Met008830: Hydroxykynurenine
Metabolite Information
Name
Hydroxykynurenine
IUPAC Name
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Molecular Formula
C10H12N2O4
Molecular Weight
224.21
Exact Mass
224.0797069
SMILES
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
InChIKey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbonyl compounds
Crops containing this metabolite
asparagus
Metabolite Spectrum Accession Label