Mol:FLIA2CGS0003

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Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
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  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  30  31
M  SBL   4  1  33
M  SMT   4  CH2OH
M  SVB   4 33   -3.5445    1.5037
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  OCH3
M  SVB   3 37    -1.796    0.2004
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  28  29
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    3.4146    0.0701
S  SKP  8
ID	FLIA2CGS0003
KNApSAcK_ID	C00010100
NAME	Cladrastin 7-O-glucoside
CAS_RN	59183-50-5
FORMULA	C24H26O11
EXACTMASS	490.147511674
AVERAGEMASS	490.45664
SMILES	c(c23)c(c(cc(OC=C(c(c4)cc(OC)c(OC)c4)C(=O)3)2)O[C@@H]([C@H]1O)OC([C@H](O)[C@@H]1O)CO)OC
M  END

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