Met004594: FR 900452
Metabolite Information
Name
FR 900452
IUPAC Name
(3S)-1-methyl-3-[(1S)-1-[(2S,3E,5R)-5-(methylsulfanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]-3H-indol-2-one
Molecular Formula
C22H25N3O3S
Molecular Weight
411.5
Exact Mass
411.1616628
SMILES
CC(C1C2=CC=CC=C2N(C1=O)C)C3C(=C4CC=CC4=O)NC(C(=O)N3)CSC
InChIKey
UAPDNDKYPBHNQT-WVPMBWLTSA-N
InChI
InChI=1S/C22H25N3O3S/c1-12(18-13-7-4-5-9-16(13)25(2)22(18)28)19-20(14-8-6-10-17(14)26)23-15(11-29-3)21(27)24-19/h4-7,9-10,12,15,18-19,23H,8,11H2,1-3H3,(H,24,27)/b20-14+/t12-,15-,18-,19-/m0/s1
Other Databases Link
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
kiwifruit
Metabolite Spectrum Accession Label