Mol:FLIA1CGS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -1.0817    0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6074   -0.9140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119   -1.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632   -0.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119    0.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3957    0.4107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8971    0.6046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3774    0.5989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7656    0.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2749    0.7766    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1289    1.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7225   -0.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9063    2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146    0.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290   -0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292   -1.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952   -1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  31
M  SMT   3  CH2OH
M  SVB   3 31   -3.5445    1.5037
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35    3.0573   -1.0912
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    3.4146    0.0701
S  SKP  8
ID	FLIA1CGS0004
KNApSAcK_ID	C00010091
NAME	Cladrin 7-O-glucoside
CAS_RN	68862-12-4
FORMULA	C23H24O10
EXACTMASS	460.136946988
AVERAGEMASS	460.43066
SMILES	c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)1
M  END

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