Met000669: Malyngamide T
Metabolite Information
Name
Malyngamide T
IUPAC Name
(E,7S)-N-[(E)-3-chloro-2-[(4-methoxy-6-oxopyran-2-yl)methyl]prop-2-enyl]-7-methoxytetradec-4-enamide
Molecular Formula
C25H38ClNO5
Molecular Weight
468
Exact Mass
467.243851
SMILES
CCCCCCCC(CC=CCCC(=O)NCC(=CCl)CC1=CC(=CC(=O)O1)OC)OC
InChIKey
ABBPFXQJIWUCKF-CXRCMLCDSA-N
InChI
InChI=1S/C25H38ClNO5/c1-4-5-6-7-9-12-21(30-2)13-10-8-11-14-24(28)27-19-20(18-26)15-23-16-22(31-3)17-25(29)32-23/h8,10,16-18,21H,4-7,9,11-15,19H2,1-3H3,(H,27,28)/b10-8+,20-18+/t21-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Pyrans
Subclass:
Pyranones and derivatives
Crops containing this metabolite
pineapple
Metabolite Spectrum Accession Label