Mol:FL5FCANI0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.2621   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3852    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8182    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419   -1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5190    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4068    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7815    1.2002    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 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  28
M  SMT   1  OCH3
M  SVB   1 28   -2.3077    0.3196
S  SKP  8
ID	FL5FCANI0001
KNApSAcK_ID	C00005003
NAME	Isoanhydroicaritin
CAS_RN	28610-30-2
FORMULA	C21H20O6
EXACTMASS	368.125988372
AVERAGEMASS	368.37989999999996
SMILES	COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)ccc(O)c1)CC=C(C)C
M  END

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