Mol:FLIDBDNP0001

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FLIDBDNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 32  0  0  0  0  0  0  0  0999 V2000
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  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  1  0  0  0  0
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  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  29
M  SMT   1 OCH3
M  SBV   1 29   -6.4305    4.4455
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  31
M  SMT   2 OCH3
M  SBV   2 31   -5.3999    4.9491
S  SKP  8
ID	FLIDBDNP0001
KNApSAcK_ID	C00009661
NAME	Desmodin
CAS_RN	56257-27-3
FORMULA	C22H22O6
EXACTMASS	382.141638436
AVERAGEMASS	382.40648000000004
SMILES	C(O1)(C=Cc(c2OC)c1cc(O3)c2C(O5)C(c(c54)cc(OC)c(O)c4)C3)(C)C
M  END

</pre>

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