Met001593: U-75302
Metabolite Information
Name
U-75302
IUPAC Name
6-[6-[(1E,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol
Molecular Formula
C22H35NO3
Molecular Weight
361.5
Exact Mass
361.261694
SMILES
CCCCCC=CCC(C=CC1=CC=CC(=N1)CC(CCCCO)O)O
InChIKey
JNBOAUIJLDEICX-HOVIKNKYSA-N
InChI
InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pyridines and derivatives
Subclass:
NA
Crops containing this metabolite
astragalus
Metabolite Spectrum Accession Label