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Mol:FL5FECGS0027 - Revision history
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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 3 2 0 0 0 0<br />
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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 />
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16 17 2 0 0 0 0<br />
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1 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
20 15 1 0 0 0 0<br />
21 22 1 0 0 0 0<br />
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23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 0 0 0<br />
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34 35 1 0 0 0 0<br />
8 34 1 0 0 0 0<br />
36 37 2 0 0 0 0<br />
36 38 1 0 0 0 0<br />
24 36 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 30 31<br />
M SBL 1 1 34<br />
M SMT 1 ^ OCH3<br />
M SBV 1 34 0.5848 0.3376<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 32 33<br />
M SBL 2 1 36<br />
M SMT 2 OCH3<br />
M SBV 2 36 0.0000 -0.7336<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 34 35<br />
M SBL 3 1 38<br />
M SMT 3 OCH3<br />
M SBV 3 38 -0.7345 0.4241<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 3 36 37 38<br />
M SBL 4 1 41<br />
M SMT 4 COOH<br />
M SBV 4 41 -0.6213 0.8735<br />
S SKP 5<br />
ID FL5FECGS0027<br />
FORMULA C24H24O14<br />
EXACTMASS 536.116605476<br />
AVERAGEMASS 536.43896<br />
SMILES c(c(O)4)(c(O)cc(c43)OC(=C(OC)C(=O)3)c(c2)ccc(c(OC)2)OC(C(O)1)OC(C(O)=O)C(C1O)O)OC<br />
M END<br />
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