Mol:FL1CE9NI0002

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Copyright: ARM project http://www.metabolome.jp/
 27 28  0  0  0  0  0  0  0  0999 V2000
    2.5674    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237   -0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237    1.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543   -0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543   -0.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934    0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9119    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593   -0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593   -0.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646    1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646   -0.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0319   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0319   -1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987    0.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643   -0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800    0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7458    1.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602    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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 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   -4.4661    4.5446
S  SKP  8
ID	FL1CE9NI0002
KNApSAcK_ID	C00007106
NAME	2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone
CAS_RN	116988-11-5
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
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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