CDK    9/10/12,15:49

 32 36  0  0  0  0  0  0  0  0999 V2000
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    7.7792   -4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0958   -6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5208   -5.1792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8083   -6.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0 
  3  7  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  7  6  1  0  0  0  0 
  8  2  1  0  0  0  0 
  9  1  1  0  0  0  0 
 10  5  2  0  0  0  0 
 11  6  1  0  0  0  0 
 12 11  2  0  0  0  0 
 13 10  1  0  0  0  0 
 14  9  1  0  0  0  0 
 13 15  1  6  0  0  0 
 16  1  1  0  0  0  0 
 17  4  1  0  0  0  0 
 18 15  1  0  0  0  0 
 19  3  1  0  0  0  0 
 20 16  1  0  0  0  0 
 21  9  1  0  0  0  0 
 22  2  2  0  0  0  0 
 23 19  1  0  0  0  0 
 24 18  2  0  0  0  0 
  3 25  1  1  0  0  0 
 26 15  1  0  0  0  0 
 27 18  1  0  0  0  0 
 14 28  1  1  0  0  0 
  6 29  1  1  0  0  0 
  9 30  1  6  0  0  0 
  4 31  1  6  0  0  0 
  7 32  1  6  0  0  0 
 20  7  1  0  0  0  0 
  8 14  1  0  0  0  0 
 21 17  1  0  0  0  0 
 12  5  1  0  0  0  0 
 13 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:67717

> <NAME>
Kibalaurifoline

> <DEFINITION>
A natural product found in Kibatalia laurifolia. 

> <STAR>
2

> <SYNONYM>
3alpha-N-acetyl-N-methylaminopregn-4,6-diene-18,20-lactone

> <FORMULA>
C24H33NO3

> <MASS>
383.52370

> <MONOISOTOPIC_MASS>
383.24604

> <CHARGE>
0

> <SMILES>
[H][C@]12CC[C@@]3([H])[C@]4([H])C=CC5=C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)N(C)C(C)=O

> <INCHI>
InChI=1S/C24H33NO3/c1-14-19-7-8-21-18-6-5-16-13-17(25(4)15(2)26)9-11-23(16,3)20(18)10-12-24(19,21)22(27)28-14/h5-6,13-14,17-21H,7-12H2,1-4H3/t14-,17+,18+,19+,20-,21-,23-,24-/m0/s1

> <INCHIKEY>
CLPGEJYIOBNCEC-YIIRXIKKSA-N

> <PUBMED_CITATION>
21443172

$$$$