Mol:FL5FACGL0027

<pre>

Copyright: ARM project http://www.metabolome.jp/
 55 60  0  0  0  0  0  0  0  0999 V2000
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  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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 19  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 28 31  1  0  0  0  0
 34 39  1  0  0  0  0
 16 40  1  0  0  0  0
 25 41  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  1  1  0  0  0
 44 45  1  1  0  0  0
 46 45  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 43  1  0  0  0  0
 43 49  1  0  0  0  0
 44 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 42  1  0  0  0  0
 35 52  1  0  0  0  0
 52 53  1  0  0  0  0
 48 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  54  55
M  SBL   2  1  59
M  SMT   2  CH2OH
M  SVB   2 59   -2.3651   -2.3474
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  52  53
M  SBL   1  1  57
M  SMT   1  CH2OH
M  SVB   1 57    2.8252    1.2173
S  SKP  8
ID	FL5FACGL0027
KNApSAcK_ID	C00005453
NAME	Quercetin 3-(2G-glucosylgentiobioside)
CAS_RN	55696-56-5
FORMULA	C33H40O22
EXACTMASS	788.201122964
AVERAGEMASS	788.6575
SMILES	O([C@H](O6)[C@@H](O)[C@H]([C@@H](O)C6CO)O)C[C@H]([C@@H]5O)O[C@H](C(C(O)5)O[C@H]([C@H](O)4)OC(CO)[C@H]([C@@H](O)4)O)OC(=C(c(c3)cc(c(c3)O)O)2)C(=O)c(c(O2)1)c(cc(O)c1)O
M  END
</pre>
Mol:FL5FACGL0027

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