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Lignin_cw_compound_2063 synonyms

Dihydroconiferyl 4-hydroxydihydrocinnamate


Graphical representations:

lignin_cw_compound_2063 image

View large 3D structure

Molecular Formula: C19 H22 O5

Natural Isotopic Abundance Mass: 330.37498

Mono-Isotopic Molecular Masses:

  • C12N14: 330.1467238167
  • C13N14: 349.2104657349
  • C12N15: 330.1467238167
  • C13N15: 349.2104657349

InChI String: InChI=1/C19H22O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h4-6,8-10,13,20-21H,2-3,7,11-12H2,1H3

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

Dihydroconiferyl 4-hydroxydihydrocinnamate

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 2063
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,