Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA02000280
Common Name9,10-EpOME(12)
Systematic Name9,10-epoxy-12-octadecenoic acid
Synonyms-
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Epoxy fatty acids[FA0107]
AbbrevFA 18:2;O
PubChem CID5283018
InChIKeyFBUKMFOXMZRGRB-JXMROGBWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7+
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SMILES
C1(OC1CCCCCCCC(=O)O)C/C=C/CCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		328.69Topological Polar
Surface Area		49.83Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		3
 logP5.67Molar
Refractivity		87.54