Metabolomics Structure Database

 
MW REGNO: 71528
Common Name:2-Methylindoline
Systematic Name:2-methylindoline
RefMet Name:2-Methylindoline
Synonyms: [PubChem Synonyms]
Exact Mass:
133.0890 (neutral)    Calculate m/z:
Formula:C9H11N
InChIKey:QRWRJDVVXAXGBT-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Indolines [C0001146]
ClassyFire direct parent:Indolines [C0001146]
SMILES:CC1Cc2ccccc2N1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:23305
CHEBI ID:166548
Plant Metabolite Hub(Pmhub):MS000049513

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