Mol:FL5FAAGL0105

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FL5FAAGL0105.png 

<pre>

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  74  75
M  SBL   3  1  81
M  SMT   3  CH2OH
M  SVB   3 81   -4.4655   -1.0205
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  72  73
M  SBL   2  1  79
M  SMT   2  CH2OH
M  SVB   2 79   -2.6529    2.1615
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  70  71
M  SBL   1  1  77
M  SMT   1  CH2OH
M  SVB   1 77    2.9687   -2.2594
S  SKP  8
ID	FL5FAAGL0105
KNApSAcK_ID	C00005926
NAME	Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside)
CAS_RN	173268-25-2
FORMULA	C48H56O27
EXACTMASS	1064.300896586
AVERAGEMASS	1064.94204
SMILES	c(c1O)cc(C(=C6O[C@@H](C(O[C@@H](O8)[C@H]([C@H](O)[C@@H](C8C)O)O)7)O[C@H](CO)[C@H](O)C(O)7)Oc(c(C6=O)5)cc(cc5O)O[C@@H]([C@H]2OC(C=Cc(c4)ccc(O)c4)=O)OC([C@@H]([C@@H]2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)O)CO)cc1
M  END

</pre>

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