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Mol:FL3FADGS0009 - Revision history
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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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0.6173 -1.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.6493 -0.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.9071 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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5.3843 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-4.5054 -0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.7749 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5054 1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.3545 2.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.0851 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.6074 -0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.0761 2.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.5105 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-5.6825 1.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-6.0291 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.7104 1.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
5.2938 2.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
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6 1 2 0 0 0 0<br />
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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 />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
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3 18 1 0 0 0 0<br />
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1 20 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
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24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
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21 28 1 0 0 0 0<br />
22 29 1 0 0 0 0<br />
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32 31 1 1 0 0 0<br />
32 33 1 0 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 36 1 1 0 0 0<br />
36 31 1 1 0 0 0<br />
32 37 1 0 0 0 0<br />
37 27 1 0 0 0 0<br />
35 38 1 0 0 0 0<br />
34 39 1 0 0 0 0<br />
36 40 1 0 0 0 0<br />
31 41 1 0 0 0 0<br />
24 20 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 42 43<br />
M SBL 1 1 47<br />
M SMT 1 OCH3<br />
M SBV 1 47 -0.0166 -0.7348<br />
S SKP 5<br />
ID FL3FADGS0009<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES OC(C(O)4)C(COC(O5)C(C(C(O)C(C)5)O)O)OC(C(O)4)Oc(c3)cc(c(c23)C(=O)C=C(O2)c(c1)ccc(O)c(OC)1)O<br />
M END<br />
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