halcinonide
  CDK     0222172012

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.3112   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4033   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -3.0769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7401   -1.1485    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -3.4925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1373   -3.4925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4248   -2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -4.3236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -3.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373   -4.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497   -3.0769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8497   -2.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.7392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000   -5.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8517   -5.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7124   -5.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.9142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373   -2.6675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0632   -1.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -2.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  2  5  1  0  0  0  0 
  4  1  1  1  0  0  0 
  6  4  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  9  6  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  7 31  1  1  0  0  0 
  8 13  1  0  0  0  0 
  9 11  1  0  0  0  0 
 14  9  1  0  0  0  0 
  9 29  1  6  0  0  0 
 15 10  1  0  0  0  0 
 12 13  1  0  0  0  0 
 14 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 30  1  1  0  0  0 
 16 15  1  0  0  0  0 
 15 18  1  1  0  0  0 
 16 19  1  6  0  0  0 
 16 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 20 22  1  1  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
  6 32  1  1  0  0  0 
 13 33  1  0  0  0  0 
 13 34  1  0  0  0  0 
M  END
> <ID>
CHEBI:31663

> <NAME>
Halcinonide

> <STAR>
2

> <SYNONYM>
halog; Halcinonide; halcimat; halciderm; alcinonide

> <FORMULA>
C24H32ClFO5; C24H32ClFO5

> <MASS>
454.960

> <MONOISOTOPIC_MASS>
454.19223

> <CHARGE>
0

> <SMILES>
C(CCl)(=O)[C@]12[C@@]3([C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(CC5)=O)[H])[H])C

> <INCHI>
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

> <INCHIKEY>
MUQNGPZZQDCDFT-JNQJZLCISA-N

> <CAS_REGISTRY_NUMBER>
3093-35-4

> <KEGG_DRUG_ACCESSION>
D01308

> <PUBMED_CITATION>
26658258

$$$$