Metabolomics Structure Database

 
MW REGNO: 51867
Common Name:Phenanthrene
Systematic Name:phenanthrene
RefMet Name:Phenanthrene
Synonyms:Phenanthren [PubChem Synonyms]
Exact Mass:
178.0782 (neutral)    Calculate m/z:
Formula:C14H10
InChIKey:YNPNZTXNASCQKK-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Aromatic polyketides
LIPID MAPS subclass:Anthracenes and phenanthrenes
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:c1cc2ccccc2c2ccccc21
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo