Mol:FL5FADGL0024

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FL5FADGL0024.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  55  56
M  SBL   4  1  60
M  SMT   4  CH2OH
M  SVB   4 60   -3.9793    1.7832
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  53  54
M  SBL   3  1  58
M  SMT   3  CH2OH
M  SVB   3 58    1.3726   -2.5191
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  51  52
M  SBL   2  1  56
M  SMT   2  CH2OH
M  SVB   2 56     3.962    0.6614
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  49  50
M  SBL   1  1  54
M  SMT   1  OCH3
M  SVB   1 54      2.19    3.1025
S  SKP  8
ID	FL5FADGL0024
KNApSAcK_ID	C00005579
NAME	Isorhamnetin 3-sophoroside-7-glucoside
CAS_RN	17331-29-2
FORMULA	C34H42O22
EXACTMASS	802.216773028
AVERAGEMASS	802.68408
SMILES	C(C([C@H]6O)O[C@@H]([C@@H]([C@@H]6O)O)OC([C@H](OC(=C2c(c5)cc(c(c5)O)OC)C(c(c4O)c(cc(c4)O[C@@H]([C@@H](O)3)OC([C@@H]([C@H](O)3)O)CO)O2)=O)1)C([C@H]([C@@H](CO)O1)O)O)O
M  END

</pre>

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