Structure database (LMSD)

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LM IDLMFA07040153
Common NameMueggelone
Systematic Name12,13-epoxy-10E,15Z-octadecadien-9-olide
Synonyms12,13-epoxyoctadeca-10E,15Z-dienyl-kappa-decanolactone
Exact Mass
292.2038 (neutral)    Calculate m/z:
FormulaC18H28O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 18:3
PubChem CID10266359
InChIKeyNQKZDMRQSOUOJH-MKZMYESJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H28O3/c1-2-3-7-11-16-17(21-16)14-13-15-10-8-5-4-6-9-12-18(19)20-15/h3,7,13-17H,2,4-6,8-12H2,1H3/b7-3-,14-13+
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SMILES
C1CCCC(=O)OC(/C=C/C2OC2C/C=C\CC)CCC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic RingsRotatable Bonds5
 van der Waals
Molecular Volume
313.69Topological Polar
Surface Area
40.90Hydrogen
Bond Donors
Hydrogen
Bond Acceptors
3
 logP5.18Molar
Refractivity
85.58