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Mol:FL5FACGL0009 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
44 48 0 0 0 0 0 0 0 0999 V2000<br />
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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
8 19 1 0 0 0 0<br />
3 20 1 0 0 0 0<br />
21 15 1 0 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 1 0 0 0<br />
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16 40 1 0 0 0 0<br />
35 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
25 43 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 43 44<br />
M SBL 2 1 47<br />
M SMT 2 CH2OH<br />
M SVB 2 47 0.0394 -2.6174<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 45<br />
M SMT 1 CH2OH<br />
M SVB 1 45 2.6592 0.4897<br />
S SKP 8<br />
ID FL5FACGL0009<br />
KNApSAcK_ID C00005409<br />
NAME Quercetin 3-sophoroside<br />
CAS_RN 18609-17-1<br />
FORMULA C27H30O17<br />
EXACTMASS 626.148299534<br />
AVERAGEMASS 626.5169000000001<br />
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O<br />
M END<br />
</pre></div>
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