BMRB

Biological Magnetic Resonance Data Bank


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

AZULENE

AZULENE synonyms

Azulene

Wikipedia:

Graphical representations:

AZULENE image

View large 3D structure

Molecular Formula: C10H8

Natural Isotopic Abundance Mass: 128.17052

Mono-Isotopic Molecular Masses:

  • C12N14: 128.062600256
  • C13N14: 138.096148636
  • C12N15: 128.062600256
  • C13N15: 138.096148636

InChI String: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   9231
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_09527

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