Structure database (LMSD)

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LM IDLMPK12100037
Common Name-
Systematic Name7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
Synonyms-
Exact Mass
342.0740 (neutral)    Calculate m/z:
FormulaC18H14O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassNeoflavonoids [PK1210]
PubChem CID14283883
METABOLOMICS IDFLNABENM0001
InChIKeyFCLXJEVYUOSEMG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H14O7/c1-23-14-4-3-9(5-13(14)21)10-6-16(22)25-15-7-12(20)11(8-19)18(
24-2)17(10)15/h3-8,20-21H,1-2H3
SMILESC1(O)C(C=O)=C(OC)C2C(C3C=C(O)C(OC)=CC=3)=CC(=O)OC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
287.95Topological Polar
Surface Area
106.20Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
7
 logP3.60Molar
Refractivity
89.85