Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	27226
Common Name:	Liquiritigenin
Systematic Name:	(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
RefMet Name:	Liquiritigenin
Synonyms:	[PubChem Synonyms]
Exact Mass:	256.0736 (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:	C15H12O4
InChIKey:	FURUXTVZLHCCNA-AWEZNQCLSA-N
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Flavanones [PK1214]
MoNA MS spectra:	View MS spectra
SMILES:	c1cc(ccc1[C@@H]1CC(=O)c2ccc(cc2O1)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	114829
LIPID MAPS ID:	LMPK12140061
CHEBI ID:	28777
HMDB ID:	HMDB0029519
KEGG ID:	C09762
MetaCyc ID:	CPD-3061
EPA CompTox DB:	DTXCID50221309
Plant Metabolite Hub(Pmhub):	MS000005051

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