Mol:FL3FADGS0017

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FL3FADGS0017.png 

<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   -2.7137    0.4142
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   -2.1002    2.4038
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     -2.86   -1.3854
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    3.3306    3.1991
S  SKP  8
ID	FL3FADGS0017
KNApSAcK_ID	C00004351
NAME	Luteolin 3'-methyl ether 7-sophorotrioside
CAS_RN	63069-54-5
FORMULA	C34H42O21
EXACTMASS	786.2218584059999
AVERAGEMASS	786.68468
SMILES	C(C(O3)[C@H](O)[C@@H]([C@@H]([C@H](Oc(c6)cc(c(c65)C(=O)C=C(O5)c(c4)cc(c(O)c4)OC)O)3)O[C@@H]([C@@H](O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1)OC([C@H](O)[C@@H]1O)CO)O)O
M  END

</pre>

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