Mol:FL1CA9NI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
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   -0.0855   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 12 13  1  0  0  0  0
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 21 23  1  0  0  0  0
 14 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  25
M  SMT   1  OCH3
M  SVB   1 25    -1.548    1.1156
S  SKP  8
ID	FL1CA9NI0002
KNApSAcK_ID	C00007081
NAME	Isoxanthohumol(Helichrysum)
CAS_RN	72247-79-1
FORMULA	C21H22O4
EXACTMASS	338.151809192
AVERAGEMASS	338.39698
SMILES	C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)OC)C=C(C)C
M  END

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