Structure database (LMSD)

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LM IDLMFA07040123
Common NamePatulolide B
Systematic Name4-oxo-2Z-dodecen-11R-olide
Synonyms-
Exact Mass
210.1256 (neutral)    Calculate m/z:
FormulaC12H18O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 12:3;O
PubChem CID6444101
InChIKeyXETYGXGLGYXEIT-HSTULFTRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H18O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-10H,2-7H2,1H3/b9-8-/t10-/m1/s1
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SMILES
C1(O[C@H](C)CCCCCCC(=O)C=C1)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
222.25Topological Polar
Surface Area
45.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP2.68Molar
Refractivity
57.91