Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OH
MW REGNO: 53722
Common Name:2-phenanthrol
Systematic Name:phenanthren-2-ol
RefMet Name:2-Phenanthrol
Synonyms:2-hydroxyphenanthrene; 2-phenanthrenol [PubChem Synonyms]
Exact Mass:
194.0732 (neutral)    Calculate m/z:
Formula:C14H10O
InChIKey:YPWLZGITFNGGKW-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Aromatic polyketides
LIPID MAPS subclass:Anthracenes and phenanthrenes
SMILES:c1ccc2c(c1)ccc1cc(ccc21)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:69061
CHEBI ID:19760
HMDB ID:HMDB0059798
Plant Metabolite Hub(Pmhub):MS000047542

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

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