Mol:FL7AADGL0007

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3  CH2OH
M  SVB   3 47   -3.0176   -0.7498
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  43
M  SMT   2  CH2OH
M  SVB   2 43    2.9542   -1.1832
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  OCH3
M  SVB   1 45    1.5476    2.3012
S  SKP  8
ID	FL7AADGL0007
KNApSAcK_ID	C00006688
NAME	Peonin;Peonidin 3,5-diglucoside;Peonidin 3-glucoside-5-glucoside
CAS_RN	132-37-6
FORMULA	C28H33O16
EXACTMASS	625.176860008
AVERAGEMASS	625.55202
SMILES	[o+1](c3c(c5)ccc(O)c5OC)c(c2)c(cc(O[C@@H](C(O)4)O[C@@H]([C@H](O)C4O)CO)3)c(cc2O)O[C@@H]([C@@H](O)1)OC([C@@H]([C@H](O)1)O)CO
M  END

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