Met001370: Slagenin B

  Metabolite Information

Name
Slagenin B
IUPAC Name
N-[[(3aS,5S,6aR)-3a-methoxy-2-oxo-3,5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
Molecular Formula
C12H15BrN4O4
Molecular Weight
359.18
Exact Mass
358.02767
SMILES
COC12C(CC(O1)CNC(=O)C3=CC(=CN3)Br)NC(=O)N2
InChIKey
NMYWRAJXOWKTDP-VMAXQDLPSA-N
InChI
InChI=1S/C12H15BrN4O4/c1-20-12-9(16-11(19)17-12)3-7(21-12)5-15-10(18)8-2-6(13)4-14-8/h2,4,7,9,14H,3,5H2,1H3,(H,15,18)(H2,16,17,19)/t7-,9+,12-/m0/s1
Other Databases Link
PubChem:100982103

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organic acids and derivatives
        Class: Carboxylic acids and derivatives
            Subclass: Amino acids, peptides, and analogues

  Crops containing this metabolite

lentil

  Metabolite Spectrum Accession Label

LEN00005n