Mol:FL5FACGL0020

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FL5FACGL0020.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  54  55
M  SBL   3  1  59
M  SMT   3  CH2OH
M  SVB   3 59    1.3332   -3.0565
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  52  53
M  SBL   2  1  57
M  SMT   2  CH2OH
M  SVB   2 57   -1.5545   -0.9987
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  50  51
M  SBL   1  1  55
M  SMT   1  CH2OH
M  SVB   1 55    3.2509   -0.5754
S  SKP  8
ID	FL5FACGL0020
KNApSAcK_ID	C00005446
NAME	Quercetin 3-sophorotrioside
CAS_RN	38681-85-5
FORMULA	C33H40O22
EXACTMASS	788.201122964
AVERAGEMASS	788.6575
SMILES	[C@@H](O)([C@H]5CO)C(C(O[C@@H](O6)[C@H](O)[C@H](O)[C@H](O)C6CO)[C@@H](O5)O[C@@H]([C@@H](O)4)[C@@H](OC([C@@H]4O)CO)OC(=C(c(c3)ccc(O)c3O)1)C(=O)c(c2O)c(cc(O)c2)O1)O
M  END

</pre>

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