Mol:FL1DA9NC0004

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FL1DA9NC0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  6 27  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  30
M  SMT   1 OCH3
M  SBV   1 30   -4.8233    3.4394
S  SKP  8
ID	FL1DA9NC0004
KNApSAcK_ID	C00007963
NAME	Anguvetin
CAS_RN	83109-27-7
FORMULA	C24H24O5
EXACTMASS	392.162373878
AVERAGEMASS	392.44436
SMILES	Oc(c3)c(ccc3)Cc(c1O)c(O)c(c(c1C(=O)CCc(c2)cccc2)OC)C
M  END

</pre>

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