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Lignin_cw_compound_2064 synonyms

Dihydrosinapyl dihydro-p-coumarate


Graphical representations:

lignin_cw_compound_2064 image

View large 3D structure

Molecular Formula: C20 H24 O6

Natural Isotopic Abundance Mass: 360.40096

Mono-Isotopic Molecular Masses:

  • C12N14: 360.157288503
  • C13N14: 380.224385259
  • C12N15: 360.157288503
  • C13N15: 380.224385259

InChI String: InChI=1S/C20H24O6/c1-24-17-12-15(13-18(25-2)20(17)23)4-3-11-26-19(22)10-7-14-5-8-16(21)9-6-14/h5-6,8-9,12-13,21,23H,3-4,7,10-11H2,1-2H3

Canonical and Isomeric SMILES: COC1=C(C(=CC(=C1)CCCOC(CCC2=CC=C(C=C2)O)=O)OC)O

Dihydrosinapyl dihydro-p-coumarate

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 2064
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,