Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	73727
Common Name:	2-Hydroxychalcone
Systematic Name:	(E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
RefMet Name:	2-Hydroxychalcone
Synonyms:	[PubChem Synonyms]
Exact Mass:	224.0840 (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:	C15H12O2
InChIKey:	UDOOPSJCRMKSGL-ZHACJKMWSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Linear 1,3-diarylpropanoids [C0003467]
ClassyFire subclass:	Chalcones and dihydrochalcones [C0001630]
ClassyFire direct parent:	Retrochalcones [C0003474]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)C(=O)/C=C/c1ccccc1O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:

5367146

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