Metabolomics Structure Database

 
MW REGNO: 52681
Common Name:Cichorine
Systematic Name:6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one
RefMet Name:Cichorine
Synonyms: [PubChem Synonyms]
Exact Mass:
193.0739 (neutral)    Calculate m/z:
Formula:C10H11NO3
InChIKey:ICZVDXDXJQCDOJ-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Isoindoles and derivatives [C0001819]
ClassyFire subclass:Isoindolines [C0002496]
ClassyFire direct parent:Isoindolones [C0001820]
SMILES:Cc1c(O)cc2c(CNC2=O)c1OC
Studies:Available studies (via RefMet name)

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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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