14433056
  CDK     0602212311

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.5442   -0.7608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   -1.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541   -0.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325    0.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    0.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    0.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107   -0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325    1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863    1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8782    0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 17  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 15  1  0  0  0  0 
  8 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  9 14  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:174476

> <NAME>
15-Hydroxymarasmen-3-one

> <STAR>
2

> <IUPAC_NAME>
14-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-4-one

> <FORMULA>
C15H20O4

> <MASS>
264.321

> <MONOISOTOPIC_MASS>
264.13616

> <CHARGE>
0

> <SMILES>
O1C(O)C23C(C(C(=O)CC2)(C)C)CC=C4C3C1OC4

> <INCHI>
InChI=1S/C15H20O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9,11-13,17H,4-7H2,1-2H3

> <INCHIKEY>
HFEYLLLUTJYNMH-UHFFFAOYSA-N

$$$$