Mol:FLIABCNF0002

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FLIABCNF0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 29  0  0  0  0  0  0  0  0999 V2000
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   -0.6063   -1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489   -1.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489   -0.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553   -0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408   -1.0481    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
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  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23  1  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  28
M  SMT   1 OCH3
M  SBV   1 28   -5.6981    4.9480
S  SKP  8
ID	FLIABCNF0002
KNApSAcK_ID	C00009909
NAME	Garhwalin
CAS_RN	113023-68-0
FORMULA	C19H12O6
EXACTMASS	336.063388116
AVERAGEMASS	336.29498
SMILES	c(c51)(OCO5)ccc(C(C2=O)=COc(c34)c(c(OC)cc3occ4)2)c1
M  END

</pre>

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