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Mol:FL3FAADS0024 - 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 />
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3.4638 1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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5.4498 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6772 1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.2673 2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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5.5632 0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
6.3123 0.2346 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 />
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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 />
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15 16 2 0 0 0 0<br />
16 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
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9 13 1 0 0 0 0<br />
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21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
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2 23 1 0 0 0 0<br />
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30 31 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 />
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30 36 1 0 0 0 0<br />
35 37 1 0 0 0 0<br />
34 38 1 0 0 0 0<br />
31 19 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 -0.6599 0.1768<br />
S SKP 5<br />
ID FL3FAADS0024<br />
FORMULA C26H28O14<br />
EXACTMASS 564.147905604<br />
AVERAGEMASS 564.49212<br />
SMILES c(c4)(ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)C(O1)=CC(c(c(O)2)c1cc(c(C(C(O)3)OCC(O)C(O)3)2)O)=O<br />
M END<br />
</pre></div>
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