Met003953: Isoochracinic acid
Metabolite Information
Name
Isoochracinic acid
IUPAC Name
2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
Molecular Formula
C10H8O5
Molecular Weight
208.17
Exact Mass
208.0371734
SMILES
C1=CC2=C(C(=C1)O)C(=O)OC2CC(=O)O
InChIKey
JUVHLXCMFDJFQF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Benzofurans
Subclass:
Benzofuranones
Crops containing this metabolite
loquat
okra
okra
Metabolite Spectrum Accession Label