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Mol:FL5FGCGL0003 - 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 />
38 41 0 0 0 0 0 0 0 0999 V2000<br />
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2.0757 -1.0343 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br />
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1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
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 />
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16 17 2 0 0 0 0<br />
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1 18 1 0 0 0 0<br />
20 21 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
25 27 1 0 0 0 0<br />
24 28 1 0 0 0 0<br />
21 19 1 0 0 0 0<br />
19 8 1 0 0 0 0<br />
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33 34 1 0 0 0 0<br />
6 35 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
2 37 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 33 34<br />
M SBL 4 1 36<br />
M SMT 4 CH2OH<br />
M SVB 4 36 3.2737 -1.8375<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 40<br />
M SMT 3 OCH3<br />
M SVB 3 40 -3.3075 -0.671<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 35 36<br />
M SBL 2 1 38<br />
M SMT 2 OCH3<br />
M SVB 2 38 -1.7587 0.7741<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 31 32<br />
M SBL 1 1 34<br />
M SMT 1 OCH3<br />
M SVB 1 34 1.889 1.1829<br />
S SKP 8<br />
ID FL5FGCGL0003<br />
KNApSAcK_ID C00005787<br />
NAME Isolimocitrol 3-glucoside<br />
CAS_RN -<br />
FORMULA C24H26O14<br />
EXACTMASS 538.13225554<br />
AVERAGEMASS 538.45484<br />
SMILES OC([C@@H]1OC(C4=O)=C(Oc(c34)c(OC)c(c(c(O)3)OC)O)c(c2)ccc(c2O)OC)C([C@@H](O)[C@@H](CO)O1)O<br />
M END<br />
</pre></div>
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