Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38507
Common Name:	Tyrosol
Systematic Name:	4-(2-hydroxyethyl)phenol
RefMet Name:	Tyrosol
Synonyms:	[PubChem Synonyms]
Exact Mass:	138.0681 (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:	C8H10O2
InChIKey:	YCCILVSKPBXVIP-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Phenols [C0000134]
ClassyFire subclass:	Tyrosols and derivatives [C0000139]
ClassyFire direct parent:	Tyrosols [C0003698]
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	c1cc(ccc1CCO)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10393
CHEBI ID:	1879
HMDB ID:	HMDB0004284
KEGG ID:	C06044
Chemspider ID:	9964
METLIN ID:	7044
BMRB ID:	bmse000173
MetaCyc ID:	CPD3O-4151
NP-MRD ID(NMR):	NP0000958
Marine Natural Products DB:	CMNPD5312
Plant Metabolite Hub(Pmhub):	MS000000119

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