Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38454
Common Name:	4-Hydroxystyrene
Systematic Name:	4-ethenylphenol
RefMet Name:	4-Hydroxystyrene
Synonyms:	[PubChem Synonyms]
Exact Mass:	120.0575 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C8H8O
InChIKey:	FUGYGGDSWSUORM-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Styrenes [C0000037]
ClassyFire direct parent:	Styrenes [C0000037]
SMILES:	C=Cc1ccc(cc1)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	62453
CHEBI ID:	1883
HMDB ID:	HMDB0004072
KEGG ID:	C05627
Chemspider ID:	56234
METLIN ID:	7012
MetaCyc ID:	CPD-1075
Plant Metabolite Hub(Pmhub):	MS000008492
PhytoHub ID:	PHUB000548

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