Mol:FL7AADGL0009

<pre>

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  54  55
M  SBL   4  1  59
M  SMT   4  CH2OH
M  SVB   4 59     3.286   -0.2885
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  52  53
M  SBL   3  1  57
M  SMT   3  CH2OH
M  SVB   3 57    0.0688   -2.4927
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  50  51
M  SBL   2  1  55
M  SMT   2  CH2OH
M  SVB   2 55   -3.3494   -0.0872
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  48  49
M  SBL   1  1  53
M  SMT   1  OCH3
M  SVB   1 53    1.5046    2.9225
S  SKP  8
ID	FL7AADGL0009
KNApSAcK_ID	C00006691
NAME	Peonidin 3-sophoroside-5-glucoside
CAS_RN	81360-22-7
FORMULA	C34H43O21
EXACTMASS	787.2296834379999
AVERAGEMASS	787.6926199999999
SMILES	C(O[C@H]([C@H](O)6)OC([C@@H](O)[C@@H](O)6)CO)(C(O)1)[C@H](Oc(c5)c([o+1]c(c53)cc(O)cc3O[C@H](O4)[C@H]([C@H]([C@@H](O)C4CO)O)O)c(c2)ccc(c2OC)O)O[C@@H]([C@H](O)1)CO
M  END

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