BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Syringic Acid

Syringic Acid bmse000607 - Data bmse010206 - Data

Syringic_acid synonyms

Benzoic acid, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-hydroxybenzyl acid; 4-Hydroxy-3,5-dimethoxybenzoic acid; SYRINGIC ACID; 3,5-Dimethoxy-4-hydroxybenzoic acid; Syringic acid; Gallic acid 3,5-dimethyl ether; Cedar acid

Wikipedia:

Graphical representations:

syringic_acid

View large 3D structure

Molecular Formula: C9H10O5

Natural Isotopic Abundance Mass: 198.1727

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0528234315
  • C13N14: 207.0830169717
  • C12N15: 198.0528234315
  • C13N15: 207.0830169717

InChI string: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

PubChem Compound (CID): 10742
CAS Registry number: 530-57-4 64887-60-1
ChemIDplus: 000530574
EINECS: 208-486-8
NMRShiftDB: 20040774
KEGG Compound ID: C10833
Beilstein Handbook Reference: 4-10-00-01995
ChemDB: 4260176
NIST Chemistry WebBook: 2520291272
MMCD: cq_07498

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)