Mol:FL1B19NF0002

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FL1B19NF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -0.2937   -1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7530   -1.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3164   -1.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4205   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9612   -2.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3978   -2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2147   -1.5785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0696   -0.9967    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.5284   -0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6935   -1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0797   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3709   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9533   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2445   -0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9533   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3709   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8457   -1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2770   -1.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0142   -2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5819   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2247    0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1909   -2.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8667   -1.5896    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 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  3 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19  4  1  0  0  0  0 
  8 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  7 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -0.5768   -0.8761 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23     0.959   -0.0978 
S  SKP  8 
ID	FL1B19NF0002 
KNApSAcK_ID	C00008073 
NAME	Castillene B 
CAS_RN	126585-61-3 
FORMULA	C19H18O4 
EXACTMASS	310.120509064 
AVERAGEMASS	310.34382 
SMILES	C(C(O4)(C(c(c43)ccc(c32)occ2)OC)OC)c(c1)cccc1 
M  END
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