Structure database (LMSD)

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LM IDLMPK12090027
Common NameFlemichapparin C
Systematic Name3-Methoxy-8,9-methylenedioxycoumestan
Synonyms-
Exact Mass
310.0477 (neutral)    Calculate m/z:
FormulaC17H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassCoumestan flavonoids [PK1209]
PubChem CID11088179
METABOLOMICS IDFLIE1CNS0003
InChIKeyZIZYKBRERUNPAU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H10O6/c1-19-8-2-3-9-11(4-8)23-17(18)15-10-5-13-14(21-7-20-13)6-12(10
)22-16(9)15/h2-6H,7H2,1H3
SMILESC1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings5Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
239.78Topological Polar
Surface Area
73.34Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
6
 logP4.20Molar
Refractivity
80.78