Mol:FL7AADGL0004

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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    2.9071   -0.5147
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   -0.2975   -2.3211
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    0.9409    2.8526
S  SKP  8
ID	FL7AADGL0004
KNApSAcK_ID	C00006684
NAME	Peonidin 3-sophoroside
CAS_RN	-
FORMULA	C28H33O16
EXACTMASS	625.176860008
AVERAGEMASS	625.55202
SMILES	Oc(c5)cc(c4c(O)5)[o+1]c(c(c4)O[C@H](O2)C(O[C@H]([C@@H]3O)OC([C@H]([C@H]3O)O)CO)C(O)[C@@H](O)[C@H]2CO)c(c1)ccc(O)c1OC
M  END

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