Mol:FL4DFAGS0001

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FL4DFAGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -1.4531    1.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
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  2 21  1  0  0  0  0
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  5 31  1  0  0  0  0
 31 25  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 CH2OH
M  SBV   1 35   -7.4164    3.9187
S  SKP  8
ID	FL4DFAGS0001
KNApSAcK_ID	C00008689
NAME	Callunin
CAS_RN	83905-64-0
FORMULA	C21H22O12
EXACTMASS	466.111126168
AVERAGEMASS	466.39218
SMILES	c(O)(c4)c(c(c(c4O)3)OC(C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O
M  END

</pre>

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