Mol:FL1CE9NI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 28  0  0  0  0  0  0  0  0999 V2000
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    3.4221    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4965   -0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2897   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8565    0.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2024    0.7167    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
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 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
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 14 18  1  0  0  0  0
 19 15  1  0  0  0  0
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 20 21  2  0  0  0  0
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 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  27
M  SMT   1 OCH3
M  SBV   1 27   -4.7239    4.5446
S  SKP  8
ID	FL1CE9NI0001
KNApSAcK_ID	C00007105
NAME	3'-Angeloyloxy-2',4'-dihydroxy-6'-methoxychalcone
CAS_RN	116988-10-4
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	COc(c2)c(c(c(OC(=O)C(C)=CC)c(O)2)O)C(=O)C=Cc(c1)cccc1
M  END

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