Structure database (LMSD)

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LM IDLMPK12140164
Common NameGlabranin
Systematic Name-
Synonyms-
Exact Mass
324.1362 (neutral)    Calculate m/z:
FormulaC20H20O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID124049
METABOLOMICS IDFL2FA9NI0001
KEGG IDC09752
CHEBI ID5368
InChIKeyDAWSYIQAGQMLFS-SFHVURJKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1
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SMILES
C1(O)C(C/C=C(/C)\C)=C2O[C@]([H])(C3C=CC=CC=3)CC(=O)C2=C(O)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
309.72Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.31Molar
Refractivity
91.67