Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2O
MW REGNO: 208267
Common Name:2-Anisidine
Synonyms: [PubChem Synonyms]
Exact Mass:
123.0684 (neutral)    Calculate m/z:
Formula:C7H9NO
InChIKey:VMPITZXILSNTON-UHFFFAOYSA-N
SMILES:COc1ccccc1N
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:7000
EPA CompTox DB:DTXCID803877

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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