Structure database (LMSD)

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LM IDLMPK12050004
Common NameGlyzarin
Systematic Name-
Synonyms-
Exact Mass
294.0892 (neutral)    Calculate m/z:
FormulaC18H14O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID44257206
METABOLOMICS IDFLIA19NM0004
HMDB IDHMDB0029534
InChIKeyKTCOGEGNUCOCON-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3
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SMILES
C1(O)=C(C(C)=O)C2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
261.58Topological Polar
Surface Area
67.51Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.58Molar
Refractivity
84.43