Mol:FLIFWXNP0002

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FLIFWXNP0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 33  0  0  0  0  0  0  0  0999 V2000
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    1.7984   -2.0097    0.0000 C   0  0  0  0  0  0  0  0  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
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  1  2  1  0  0  0  0
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 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  32
M  SMT   2  OCH3
M  SVB   2 32    1.0839   -1.5972
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  30
M  SMT   1  OCH3
M  SVB   1 30    2.3331   -1.2885
S  SKP  8
ID	FLIFWXNP0002
KNApSAcK_ID	C00009601
NAME	Dehydrodeguelin,7a,13a-Didehydrodeguelin
CAS_RN	3466-23-7
FORMULA	C23H20O6
EXACTMASS	392.125988372
AVERAGEMASS	392.4013
SMILES	c(c51)c(c(OC)cc(OCC(=C45)Oc(c(C(=O)4)3)c(C=2)c(cc3)OC(C2)(C)C)1)OC
M  END

</pre>

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