Structure database (LMSD)

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LM IDLMPK12130020
Common NameMaritimetin
Systematic Name-
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID441768
METABOLOMICS IDFL1A3CNS0001
InChIKeyPNIFOHGQPKXLJE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/
h1-6,16-18,20H
SMILESC12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C(O)=C(O)C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
240.80Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.13Molar
Refractivity
72.48