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Mol:FL5FACGS0020 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
40 44 0 0 0 0 0 0 0 0999 V2000<br />
-3.1418 1.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1418 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.3423 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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3.5492 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.3736 0.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.8384 -1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8428 -1.5740 0.0000 O 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 />
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 />
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 />
24 25 1 1 0 0 0<br />
26 25 1 1 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
27 29 1 0 0 0 0<br />
26 30 1 0 0 0 0<br />
23 19 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 31 1 0 0 0 0<br />
32 36 1 0 0 0 0<br />
33 37 1 0 0 0 0<br />
28 31 1 0 0 0 0<br />
14 38 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 CH2OH<br />
M SBV 1 44 0.0000 0.6509<br />
S SKP 5<br />
ID FL5FACGS0020<br />
FORMULA C25H26O15<br />
EXACTMASS 566.127170162<br />
AVERAGEMASS 566.46494<br />
SMILES C(C(O)5)(C(OCC5O)OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O)OC(C(O)1)OCC1(O)CO<br />
M END<br />
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