Mol:FL5FAAGL0100

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FL5FAAGL0100.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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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    2.1523   -2.7912
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  61  62
M  SBL   1  1  67
M  SMT   1  CH2OH
M  SVB   1 67   -3.5795    2.7467
S  SKP  8
ID	FL5FAAGL0100
KNApSAcK_ID	C00005919
NAME	Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside)
CAS_RN	173268-23-0
FORMULA	C42H46O22
EXACTMASS	902.248073156
AVERAGEMASS	902.80144
SMILES	[C@H](O)([C@@H](OC([C@H](OC(=C6c(c7)ccc(O)c7)C(=O)c(c3O6)c(cc(O[C@@H]([C@H]4OC(C=Cc(c5)ccc(O)c5)=O)OC(CO)[C@H](O)[C@@H]4O)c3)O)2)C([C@@H](O)[C@H](O2)CO)O)1)[C@H](O)[C@H](O)C(C)O1
M  END

</pre>

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