CDK     1030232203

 28 33  0  0  0  0  0  0  0  0999 V2000
   -1.0291    3.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    3.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479    2.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691    2.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9553    1.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    1.3054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2878    1.4548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2195    2.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8869    1.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741    0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7066    0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1132   -0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007   -0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682    0.3356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0370   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882   -1.5350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077   -0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403   -2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -2.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614   -2.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215   -3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751   -3.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  7  5  1  0  0  0  0 
  8  5  1  0  0  0  0 
  7  9  1  1  0  0  0 
 10  7  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 13 10  1  0  0  0  0 
 10 14  1  0  0  0  0 
 10 15  1  6  0  0  0 
 11 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 18 13  1  0  0  0  0 
 13 19  1  1  0  0  0 
 17 20  1  0  0  0  0 
 17 21  2  0  0  0  0 
 18 22  1  1  0  0  0 
 20 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 25 27  2  0  0  0  0 
 26 28  2  0  0  0  0 
  8  6  1  6  0  0  0 
 12 14  1  0  0  0  0 
 16 18  1  0  0  0  0 
 21 22  1  0  0  0  0 
 23 24  2  0  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:225385

> <NAME>
Penerpene F

> <STAR>
2

> <IUPAC_NAME>
(1S,2R,5S,11S,14S)-11-hydroxy-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one

> <FORMULA>
C24H27NO3

> <MASS>
377.484

> <MONOISOTOPIC_MASS>
377.19909

> <CHARGE>
0

> <SMILES>
O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2OC1)C

> <INCHI>
InChI=1S/C24H27NO3/c1-22-9-8-20-18(12-15(26)13-28-20)24(22,27)10-7-14-11-17-16-5-3-4-6-19(16)25-21(17)23(14,22)2/h3-6,12,14,20,25,27H,7-11,13H2,1-2H3/t14-,20-,22+,23+,24+/m0/s1

> <INCHIKEY>
KKNOIEHWIXJKBK-ZAJLXLGHSA-N

$$$$