CC01593
  CDK     0619181125

 22 25  0  0  0  0  0  0  0  0999 V2000
   -7.9760   -2.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9760   -4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6760   -5.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760   -4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760   -2.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6760   -2.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -2.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -2.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -5.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -2.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760    0.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0760   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4760   -2.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617   -1.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4616    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2571   -7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7865   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2749   -5.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  1  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  7 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
  8 16  1  6  0  0  0 
 12 17  1  1  0  0  0 
 12 18  1  0  0  0  0 
  5 19  1  6  0  0  0 
  3 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
  2 22  2  0  0  0  0 
M  END
> <Name>
(16S)-16-Hydroxy-13,16-secotrachyloba-13-ene-3-one

> <InChIKey>
AFZCVSRIUXFFJO-AYWWZKDWSA-N

> <PubChem_CID>


> <CYP1A2>
N

> <CYP2A6>
N

> <CYP2B6>
N

> <CYP2C8>
N

> <CYP2C9>
N

> <CYP2C19>
N

> <CYP2D6>
N

> <CYP2E1>
N

> <CYP3A4>
N

> <References>
Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. (PMID: 29140435)
Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M: DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037. (PMID: 29126136)
Placzek S, Schomburg I, Chang A, Jeske L, Ulbrich M, Tillack J, Schomburg D: BRENDA in 2017: new perspectives and new tools in BRENDA. Nucleic Acids Res. 2017 Jan 4;45(D1):D380-D388. doi: 10.1093/nar/gkw952. Epub 2016 Oct 19. (PMID: 27924025)
Kim S, Thiessen PA, Bolton EE, Chen J, Fu G, Gindulyte A, Han L, He J, He S, Shoemaker BA, Wang J, Yu B, Zhang J, Bryant SH: PubChem Substance and Compound databases. Nucleic Acids Res. 2016 Jan 4;44(D1):D1202-13. doi: 10.1093/nar/gkv951. Epub 2015 Sep 22. (PMID: 26400175)

> <Comments>


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