Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56884
Common Name:	2,3-dihydroflavon-3-ol
Systematic Name:	3-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
RefMet Name:	2,3-Dihydroflavon-3-ol
Synonyms:	Dihydroflavonol [PubChem Synonyms]
Exact Mass:	240.0786 (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:	C15H12O3
InChIKey:	YEDFEBOUHSBQBT-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides
LIPID MAPS mainclass:	Flavonoids
LIPID MAPS subclass:	Flavanonols
SMILES:	c1ccc(cc1)C1C(C(=O)c2ccccc2O1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	147806
CHEBI ID:	48040
HMDB ID:	HMDB0251315
KEGG ID:	C15570
Plant Metabolite Hub(Pmhub):	MS000024672

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