Structure database (LMSD)

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LM IDLMPK12120525
Common NamePhloretin (W)
Systematic Name-
Synonyms-
Exact Mass
274.0841 (neutral)    Calculate m/z:
FormulaC15H14O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassChalcones and dihydrochalcones [PK1212]
PubChem CID4788
METABOLOMICS IDFL1DAANS0001
KEGG IDC00774
HMDB IDHMDB0003306
CHEBI ID17276
CAYMAN ID14452
InChIKeyVGEREEWJJVICBM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2
,4-5,7-8,16-17,19-20H,3,6H2
SMILESC1(O)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings2Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
247.01Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP2.32Molar
Refractivity
72.19