Mol:FL5FEANS0016

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FL5FEANS0016.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1 22  1  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -1.7639   -1.0073
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    -2.241    0.7355
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.5983   -0.4342
S  SKP  8
ID	FL5FEANS0016
KNApSAcK_ID	C00004605
NAME	Candidol
CAS_RN	35286-55-6
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1OC)c(O2)c(C(C(=C2c(c3)ccc(O)c3)O)=O)c(c1OC)OC
M  END

</pre>

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