Mol:FL3FABCS0003

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Copyright: ARM project http://www.metabolome.jp/
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  3 12  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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  9 13  1  0  0  0  0
 19 20  1  1  0  0  0
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 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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  2 22  1  0  0  0  0
  1 27  1  0  0  0  0
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 29 30  1  1  0  0  0
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  46
M  SMT   3  CH2OH
M  SVB   3 46   -2.8448    0.7576
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44   -3.5087   -1.2909
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  42
M  SMT   1  OCH3
M  SVB   1 42    3.8975    2.3281
S  SKP  8
ID	FL3FABCS0003
KNApSAcK_ID	C00006269
NAME	Isocytisoside 2''-O-glucoside
CAS_RN	-
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	O(C)c(c1)ccc(C(O5)=CC(c(c52)c(c([C@H](O3)[C@@H](O[C@H](O4)[C@@H](O)[C@@H](O)[C@@H](O)C4CO)[C@@H](O)[C@@H](O)C3CO)c(O)c2)O)=O)c1
M  END

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