Mol:FL7AADGL0021

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FL7AADGL0021.png 

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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  65  66
M  SBL   3  1  71
M  SMT   3  CH2OH
M  SVB   3 71   -3.6613    1.2838
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  63  64
M  SBL   2  1  69
M  SMT   2  CH2OH
M  SVB   2 69    3.6563    0.6447
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  61  62
M  SBL   1  1  67
M  SMT   1  OCH3
M  SVB   1 67    1.3773     4.319
S  SKP  8
ID	FL7AADGL0021
KNApSAcK_ID	C00006869
NAME	Peonidin 3-p-coumarylsophoroside-5-glucoside
CAS_RN	38718-99-9
FORMULA	C43H49O23
EXACTMASS	933.266462874
AVERAGEMASS	933.83536
SMILES	O([C@@H]6COC(=O)C=Cc(c7)ccc(c7)O)[C@H](C(C([C@@H](O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C(CO)5)O)O)Oc(c4)c([o+1]c(c42)cc(cc(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)2)O)c(c1)ccc(O)c1OC
M  END

</pre>

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