Mol:FL1CA8NP0001

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FL1CA8NP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 34  0  0  0  0  0  0  0  0999 V2000
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    1.7318    0.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664    0.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -0.0889    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
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  3 20  1  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 14  1  0  0  0  0
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 26 29  1  0  0  0  0
  1 30  1  0  0  0  0
 12 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  33
M  SMT   1 OCH3
M  SBV   1 33   -4.7454    3.7391
S  SKP  8
ID	FL1CA8NP0001
KNApSAcK_ID	C00007110
NAME	Orotinichalcone
CAS_RN	108864-19-3
FORMULA	C26H28O6
EXACTMASS	436.188588628
AVERAGEMASS	436.49692
SMILES	C(C=C(C)C)c(c(O)1)c(O3)c(C=CC3(C)C)c(OC)c1C(=O)C=Cc(c(O)2)c(O)ccc2
M  END

</pre>

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