Metabolomics Structure Database

MW REGNO: 154042
Common Name:Phenolsulfonphthalein
Systematic Name:3,3-bis(4-hydroxyphenyl)-3H-2,1??-benzoxathiole-1,1-dione
RefMet Name:Phenolsulfonphthalein
Synonyms: [PubChem Synonyms]
Exact Mass:
354.0562 (neutral)    Calculate m/z:
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Benzofurans [C0000301]
ClassyFire subclass:Benzofuranones [C0001578]
MoNA MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:4766
CHEBI ID:31991
Drugbank ID:DB13212
Plant Metabolite Hub(Pmhub):MS000023133


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