Mol:FL5FACGL0036

Revision as of 09:00, 7 October 2008

<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  54  55
M  SBL   2  1  59
M  SMT   2  CH2OH
M  SVB   2 59   -3.7708    1.2765
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  52  53
M  SBL   1  1  57
M  SMT   1  CH2OH
M  SVB   1 57    2.7745   -1.4682
S  SKP  8
ID	FL5FACGL0036
KNApSAcK_ID	C00005467
NAME	Quercetin 3-gentiobioside-7-glucoside
CAS_RN	84534-23-6
FORMULA	C33H40O22
EXACTMASS	788.201122964
AVERAGEMASS	788.6575
SMILES	O(C=3c(c6)ccc(O)c(O)6)c(c(C(C3O[C@@H](C4O)O[C@H](CO[C@H](O5)[C@H]([C@@H](O)[C@H](C(CO)5)O)O)[C@H](O)C(O)4)=O)2)cc(cc2O)O[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O
M  END

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