Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	27167
Common Name:	Eriodictyol
Systematic Name:	(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
RefMet Name:	Eriodictyol
Synonyms:	[PubChem Synonyms]
Exact Mass:	288.0634 (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:	C15H12O6
InChIKey:	SBHXYTNGIZCORC-ZDUSSCGKSA-N
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Flavanones [PK1214]
Massbank MS spectra:	View MS spectra
SMILES:	c1cc(c(cc1[C@@H]1CC(=O)c2c(cc(cc2O1)O)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440735
LIPID MAPS ID:	LMPK12140002
CHEBI ID:	28412
HMDB ID:	HMDB0005810
KEGG ID:	C05631
Chemspider ID:	389606
METLIN ID:	3415
Plant Metabolite Hub(Pmhub):	MS000000356
PhytoHub ID:	PHUB000378

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