BMRB

Biological Magnetic Resonance Data Bank


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

Guaiazulene

Guaiazulene synonyms

azulon; guaiazulene; guajazulene

Wikipedia:

Graphical representations:

Guaiazulene image

View large 3D structure

Molecular Formula: C15H18

Natural Isotopic Abundance Mass: 198.30342

Mono-Isotopic Molecular Masses:

  • C12N14: 198.140850576
  • C13N14: 213.191173146
  • C12N15: 198.140850576
  • C13N15: 213.191173146

InChI String: InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   3515
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, https://www.nature.com/articles/sdata201773