Structure database (LMSD)

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LM IDLMPK12130040
Common Name-
Systematic Name4,6,3',4'-Tetrahydroxy-7-methylaurone
Synonyms-
Exact Mass
300.0634 (neutral)    Calculate m/z:
FormulaC16H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607772
METABOLOMICS IDFL1AACNM0002
InChIKeyGHDZFSARRAFDOD-ACAGNQJTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H12O6/c1-7-10(18)6-12(20)14-15(21)13(22-16(7)14)5-8-2-3-9(17)11(19)4
-8/h2-6,17-20H,1H3/b13-5-
SMILESC1(O)C(C)=C2O/C(=C\C3C=CC(O)=C(O)C=3)/C(=O)C2=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
258.10Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.43Molar
Refractivity
77.22