Mol:FLIHBCNF0001

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FLIHBCNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 34  0  0  0  0  0  0  0  0999 V2000
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    0.4041    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1449    0.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -0.3286    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  1  2  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
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 24 26  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1 OCH3
M  SBV   1 31   -6.7708    4.4300
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  33
M  SMT   2 OCH3
M  SBV   2 33   -6.7708    4.4300
S  SKP  8
ID	FLIHBCNF0001
KNApSAcK_ID	C00009791
NAME	Glabrescin
CAS_RN	65893-96-1
FORMULA	C23H20O7
EXACTMASS	408.120902994
AVERAGEMASS	408.40070000000003
SMILES	c(c5)(ccc(c54)OCO4)C(=C(OC)1)C(=O)Oc(c2)c(c(c(C3)c2OC(C(C)=C)3)OC)1
M  END

</pre>

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