139590262
  CDK     0118221227

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.5825    0.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758    2.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4331   -0.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8177   -0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672   -2.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -2.6849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    0.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2771    0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9113    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1277   -1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -1.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318    2.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916   -3.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 11  2  0  0  0  0 
  4 13  1  0  0  0  0 
  5 16  2  0  0  0  0 
  6 14  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:189399

> <NAME>
Cladosporiumin F

> <STAR>
2

> <IUPAC_NAME>
3-(3,5-dihydroxyhexanoyl)-4-hydroxy-5-propan-2-ylidenepyrrol-2-one

> <FORMULA>
C13H19NO5

> <MASS>
269.297

> <MONOISOTOPIC_MASS>
269.12632

> <CHARGE>
0

> <SMILES>
OC(CC(O)C)CC(=O)C1=C(O)C(NC1=O)=C(C)C

> <INCHI>
InChI=1S/C13H19NO5/c1-6(2)11-12(18)10(13(19)14-11)9(17)5-8(16)4-7(3)15/h7-8,15-16,18H,4-5H2,1-3H3,(H,14,19)

> <INCHIKEY>
GFECIIOJYPXSGC-UHFFFAOYSA-N

$$$$