Mol:FL1CA9NP0003

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FL1CA9NP0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
    1.3620   -0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3620   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0120    1.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4746    0.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746    1.2978    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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 17 16  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 14 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  SVB   1 27   -2.4746    0.4318
S  SKP  8
ID	FL1CA9NP0003
KNApSAcK_ID	C00007082
NAME	Helichromanochalcone
CAS_RN	72247-81-5
FORMULA	C21H22O5
EXACTMASS	354.146723814
AVERAGEMASS	354.39638
SMILES	COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O
M  END

</pre>

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