Mol:FL2F99NI0001

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FL2F99NI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6004    0.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0685    0.9129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0607   -1.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5506   -1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4880   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -1.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149    0.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1 ^OCH3
M  SBV   1 26   -6.2295    3.0963
S  SKP  8
ID	FL2F99NI0001
KNApSAcK_ID	C00008129
NAME	Falciformin
CAS_RN	102275-31-0
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	COc(c3)c(c(C(=O)2)c(c3)OC(C2)c(c1)cccc1)C(C(=C)O)(C)C
M  END

</pre>

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