Mol:FL1CE9NI0003

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Copyright: ARM project http://www.metabolome.jp/
 27 28  0  0  0  0  0  0  0  0999 V2000
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    3.1237   -0.1572    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
  2  8  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 23 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    4.5492
S  SKP  8
ID	FL1CE9NI0003
KNApSAcK_ID	C00007107
NAME	2',4'-Dihydroxy-3'-isovaleryloxy-6'-methoxychalcone
CAS_RN	116988-12-6
FORMULA	C21H22O6
EXACTMASS	370.141638436
AVERAGEMASS	370.39578
SMILES	COc(c2)c(c(c(OC(=O)CC(C)C)c(O)2)O)C(=O)C=Cc(c1)cccc1
M  END

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