Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12130004
Common NameHispidol
Systematic Name-
Synonyms-
Exact Mass
254.0579 (neutral)    Calculate m/z:
FormulaC15H10O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID313109
METABOLOMICS IDFL1A1ANS0001
HMDB IDHMDB0137607
InChIKeyKEZLDSPIRVZOKZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8
,16-17H
SMILESC12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O)C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
223.22Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.71Molar
Refractivity
69.15