Met006630: Daucic acid
Metabolite Information
Name
Daucic acid
IUPAC Name
3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
Molecular Formula
C7H8O7
Molecular Weight
204.13
Exact Mass
204.0270026
SMILES
C1=C(OC(C(C1O)O)C(=O)O)C(=O)O
InChIKey
KUKCUROTFRBUNU-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Hydroxy acids and derivatives
Subclass:
Beta hydroxy acids and derivatives
Crops containing this metabolite
bittermelon
parsley
perilla
parsley
perilla
Metabolite Spectrum Accession Label