Metabolomics Structure Database

MW REGNO: 44026
Common Name:Indole-3-methyl acetate
Systematic Name:methyl 2-(1H-indol-3-yl)acetate
RefMet Name:Indole-3-methyl acetate
Synonyms: [PubChem Synonyms]
Exact Mass:
189.0790 (neutral)    Calculate m/z:
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Indolyl carboxylic acids and derivatives [C0001290]
ClassyFire direct parent:Indole-3-acetic acid derivatives [C0001252]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:74706
Chemspider ID:67279
MetaCyc ID:CPD-10546
Natural Products Atlas ID:NP006137
Marine Natural Products DB:CMNPD15973
Plant Metabolite Hub(Pmhub):MS000000414


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