Structure database (LMSD)

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LM IDLMFA02000037
Common Name9(10)-EpOME
Systematic Name9,10-epoxy-12Z-octadecenoic acid
SynonymsCoronaric acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
PubChem CID6246154
KEGG IDC14825
HMDB IDHMDB0004701
SWISSLIPIDS IDSLM:000501359
InChIKeyFBUKMFOXMZRGRB-YFHOEESVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,1
0,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
SMILESC(CCCCCCCC1OC1C/C=C\CCCCC)(=O)O
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