Structure database (LMSD)

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LM IDLMPK12111397
Common NameHypolaetin
Systematic Name-
Synonyms-
Exact Mass
302.0427 (neutral)    Calculate m/z:
FormulaC15H10O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281648
METABOLOMICS IDFL3FFCNS0001
InChIKeyASOIXDIITRKTOX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22
-12/h1-5,16-18,20-21H
SMILESC1(O)=C(O)C2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
238.69Topological Polar
Surface Area
131.36Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP2.89Molar
Refractivity
76.35