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Mol:FL3FACGS0035 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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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 />
18 1 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
16 21 1 0 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 26 1 0 0 0 0<br />
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27 22 1 1 0 0 0<br />
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25 29 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
18 23 1 0 0 0 0<br />
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32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
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32 20 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
34 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
27 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 45<br />
M SMT 1 CH2OH<br />
M SBV 1 45 -0.5572 -0.0290<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 47<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 47 0.4989 -0.3492<br />
S SKP 5<br />
ID FL3FACGS0035<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES c(O)(c4)c(c(cc(OC(C(O)5)OC(CO)C(O)C5O)4)1)C(=O)C=C(c(c2)cc(O)c(OC(O3)C(C(C(O)C(CO)3)O)O)c2)O1<br />
M END<br />
</pre></div>
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