Mrv0541 03131509272D          

 24 24  0  0  1  0            999 V2000
   22.2774   -8.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9919   -7.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9919   -6.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2774   -6.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5629   -6.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5629   -7.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7064   -8.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2774   -5.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8484   -8.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7050   -7.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4195   -8.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1340   -7.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9905   -8.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5615   -8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5616   -8.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2761   -7.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2760   -9.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7049   -9.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9904   -8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4194   -8.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1339   -9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8483   -8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5628   -9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8484   -6.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
> <ID>
CHEBI:84253

> <NAME>
4-hydroxy-5-methyl-6-pentadecylpyran-2-one

> <DEFINITION>
A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and pentadecyl groups respectively.

> <STAR>
3

> <SYNONYM>
4-hydroxy-5-methyl-6-pentadecylpyran-2-one

> <IUPAC_NAME>
4-hydroxy-5-methyl-6-pentadecyl-2H-pyran-2-one

> <FORMULA>
C21H36O3

> <MASS>
336.50870

> <MONOISOTOPIC_MASS>
336.26645

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C

> <INCHI>
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(2)19(22)17-21(23)24-20/h17,22H,3-16H2,1-2H3

> <INCHIKEY>
KDKNUCFOXSPDEG-UHFFFAOYSA-N

> <PUBMED_CITATION>
23615910

$$$$