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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Berberine Chloride

Berberine Chloride synonyms

Berberine chloride

Wikipedia:

Graphical representations:

Berberine chloride image

View large 3D structure

Molecular Formula: C20H18ClNO4

Natural Isotopic Abundance Mass: 371.81422

Mono-Isotopic Molecular Masses:

  • C12N14: 371.092435741
  • C13N14: 391.159532501001
  • C12N15: 372.089470634001
  • C13N15: 392.156567394001

InChI String: InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   155773
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_09129

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