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Mol:FL3FABDS0001 - Revision history
2026-05-15T04:05:12Z
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 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 />
3 12 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
18 13 1 0 0 0 0<br />
9 13 1 0 0 0 0<br />
1 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
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24 25 1 0 0 0 0<br />
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29 30 1 1 0 0 0<br />
30 31 1 1 0 0 0<br />
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34 38 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
25 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
16 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 ^CH2OH<br />
M SBV 1 43 0.5256 -0.5255<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 ^CH2OH<br />
M SBV 2 45 0.4294 -0.4294<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 42 43<br />
M SBL 3 1 47<br />
M SMT 3 OCH3<br />
M SBV 3 47 -0.7523 -0.4343<br />
S SKP 5<br />
ID FL3FABDS0001<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES OC(C(O)1)C(CO)OC(Oc(c5)c(c(c(c53)C(=O)C=C(c(c4)ccc(OC)c4)O3)O)C(C2O)OC(CO)C(O)C2O)C(O)1<br />
M END<br />
</pre></div>
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