Mol:FL1B19NF0002

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FL1B19NF0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
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   -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

</pre>

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