Chicoric Acid

Chicoric Acid bmse001261 - Data

Chicoric Acid synonyms

Wikipedia:

Graphical representations:

Chicoric

View large 3D structure

Molecular Formula: C22H18O12

Natural Isotopic Abundance Mass: 474.37112

Mono-Isotopic Molecular Masses:

  • C12N14: 474.079826016
  • C13N14: 496.153632452
  • C12N15: 474.079826016
  • C13N15: 496.153632452

InChI string: InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1

IUPAC: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid

BMRB Ligand Expo: GKP
PubChem Compound (CID): 65018

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)