Met002562: Sinapoyltartronate
Metabolite Information
Name
Sinapoyltartronate
IUPAC Name
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxypropanedioic acid
Molecular Formula
C14H14O9
Molecular Weight
326.25
Exact Mass
326.063782
SMILES
COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(C(=O)O)C(=O)O
InChIKey
BILXTXFCLYPNMR-ONEGZZNKSA-N
InChI
InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Cinnamic acids and derivatives
Subclass:
Hydroxycinnamic acids and derivatives
Crops containing this metabolite
grape
mango
peanut
mango
peanut
Metabolite Spectrum Accession Label