Structure database (LMSD)

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LM IDLMFA07040187
Common NameMycenolide A
Systematic Name(4s)-10-Hydroxy-10-methyl-11-oxo-dodec-2-en-1,4-olide
Synonyms-
Exact Mass
240.1362 (neutral)    Calculate m/z:
FormulaC13H20O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 13:3;O2
PubChem CID154926171
InChIKeyCIXUOGLICKUHDS-AMGKYWFPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H20O4/c1-10(14)13(2,16)9-5-3-4-6-11-7-8-12(15)17-11/h7-8,11,16H,3-6,9H2,1-2H3/t11-,13?/m0/s1
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SMILES
C1=CC(=O)O[C@H]1CCCCCC(O)(C)C(=O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings1Aromatic RingsRotatable Bonds7
 van der Waals
Molecular Volume
248.34Topological Polar
Surface Area
65.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP2.33Molar
Refractivity
64.43