Met009343: Maculosin
Metabolite Information
Name
Maculosin
IUPAC Name
(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Formula
C14H16N2O3
Molecular Weight
260.29
Exact Mass
260.1160924
SMILES
C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O
InChIKey
LSGOTAXPWMCUCK-RYUDHWBXSA-N
InChI
InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1
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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
perilla
Metabolite Spectrum Accession Label