10221060
  CDK     1202211636

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.6348   -4.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744   -3.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.8715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0789    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5549   -3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098   -4.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8898   -3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    4.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 14  2  0  0  0  0 
  3 16  2  0  0  0  0 
  4 18  2  0  0  0  0 
  6  5  1  6  0  0  0 
  5 18  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 14  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:184905

> <NAME>
N-(3-oxo-decanoyl)-homoserine lactone

> <STAR>
2

> <IUPAC_NAME>
3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide

> <FORMULA>
C14H23NO4

> <MASS>
269.341

> <MONOISOTOPIC_MASS>
269.16271

> <CHARGE>
0

> <SMILES>
O1CC[C@H](NC(=O)CC(=O)CCCCCCC)C1=O

> <INCHI>
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1

> <INCHIKEY>
KYGIKEQVUKTKRR-LBPRGKRZSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA08030017

> <PDBECHEM_ACCESSION>
3M5

$$$$