Mol:FL5FEAGL0008

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  35  36
M  SBL   4  1  38
M  SMT   4  CH2OH
M  SVB   4 38    3.1606   -1.5031
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3  OCH3
M  SVB   3 36   -2.5728    -0.924
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34   -3.0499    0.8188
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -3.4071   -0.3509
S  SKP  8
ID	FL5FEAGL0008
KNApSAcK_ID	C00005333
NAME	Candidol 3-glucoside
CAS_RN	141304-80-5
FORMULA	C24H26O12
EXACTMASS	506.142426296
AVERAGEMASS	506.45604
SMILES	OC([C@@H]1OC(=C3c(c4)ccc(c4)O)C(c(c2O3)c(OC)c(OC)c(c2)OC)=O)C([C@@H](O)[C@@H](CO)O1)O
M  END

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