BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-Methoxy-4-hydroxy Stilbene Carboxylic Acid

3-Methoxy-4-hydroxy Stilbene Carboxylic Acid synonyms

3-Methoxy-4-hydroxy stilbene carboxylic acid

Wikipedia:

Graphical representations:

3-Methoxy-4-hydroxy stilbene carboxylic acid image

View large 3D structure

Molecular Formula: C16 H14 O4

Natural Isotopic Abundance Mass: 270.27996

Mono-Isotopic Molecular Masses:

  • C12N14: 270.0892089378
  • C13N14: 286.1428863426
  • C12N15: 270.0892089378
  • C13N15: 286.1428863426

InChI String: InChI=1S/C16H14O4/c1-20-15-10-11(7-8-14(15)17)9-13(16(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3,(H,18,19)/b13-9-

Canonical and Isomeric SMILES: C1(=C(C(=C(C(=C1[H])OC([H])([H])[H])O[H])[H])[H])\C(=C(\C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])C(=O)O[H])[H]

Beilstein
3-Methoxy-4-hydroxy stilbene carboxylic acid

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 298
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, https://www.nature.com/articles/sdata201773