Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Pleurotine synonyms


Graphical representations:

Pleurotine image

View large 3D structure

Molecular Formula: C21H22O5

Natural Isotopic Abundance Mass: 354.39638

Mono-Isotopic Molecular Masses:

  • C12N14: 354.146723804
  • C13N14: 375.217175402
  • C12N15: 354.146723804
  • C13N15: 375.217175402

InChI String: InChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,9-12,17-19H,2-3,6-8H2,1H3/t9-,10-,11-,12+,17-,18-,19-,21-/m0/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   13994131
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
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,