Mol:FLIC1LNI0002

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FLIC1LNI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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    1.5964    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    0.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -0.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0016   -1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1906    1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9306    0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670    1.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076   -0.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068   -0.8547    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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  1  2  1  0  0  0  0
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  1 18  1  0  0  0  0
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 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 12 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1 ^OCH3
M  SBV   1 27   -7.0242    4.8792
S  SKP  8
ID	FLIC1LNI0002
KNApSAcK_ID	C00009732
NAME	alpha,alpha-dimethylallylcyclolobin
CAS_RN	58210-35-8
FORMULA	C21H24O5
EXACTMASS	356.162373878
AVERAGEMASS	356.41226
SMILES	c(c(C(C)(C)C=C)1)c(C(C2)Cc(c3)c(cc(O)c3)O2)c(c(c(O)1)O)OC
M  END

</pre>

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