Metabolomics Structure Database

 
MW REGNO: 206791
Common Name:3-Hydroxyindolin-2-one sulfate
Systematic Name:(2-oxoindolin-3-yl) hydrogen sulfate
Synonyms: [PubChem Synonyms]
Exact Mass:
229.0045 (neutral)    Calculate m/z:
Formula:C8H7NO5S
InChIKey:HLYCAHONCGGOOJ-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds
ClassyFire class:Indoles and derivatives
ClassyFire subclass:Indolines
ClassyFire direct parent:Indolines
SMILES:c1ccc2c(c1)C(C(=O)N2)OS(=O)(=O)O
Studies:-

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External database links:

PubChem CID:157010389
HMDB ID:HMDB0304928

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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