Structure database (LMSD)

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LM IDLMPK12140449
Common NameHomoeriodictyol (W)
Systematic Name-
Synonyms-
Exact Mass
302.0790 (neutral)    Calculate m/z:
FormulaC16H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID73635
METABOLOMICS IDFL2FADNS0001
InChIKeyFTODBIPDTXRIGS-ZDUSSCGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)2
2-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILESC1(O)C=C2O[C@]([H])(C3C=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
260.74Topological Polar
Surface Area
98.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.52Molar
Refractivity
76.75