Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12140216
Common NamePinostrobin
Systematic Name-
Synonyms-
Exact Mass
270.0892 (neutral)    Calculate m/z:
FormulaC16H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID4101463
METABOLOMICS IDFL2FA9NS0003
InChIKeyORJDDOBAOGKRJV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h
2-8,14,17H,9H2,1H3
SMILESC1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
243.16Topological Polar
Surface Area
57.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.11Molar
Refractivity
73.42