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Mol:FL3FACDS0007 - 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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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 />
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 />
16 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 />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
2 23 1 0 0 0 0<br />
1 28 1 0 0 0 0<br />
22 29 1 0 0 0 0<br />
15 30 1 0 0 0 0<br />
31 32 1 0 0 0 0<br />
32 33 1 1 0 0 0<br />
33 34 1 1 0 0 0<br />
35 34 1 1 0 0 0<br />
35 36 1 0 0 0 0<br />
36 31 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
36 38 1 0 0 0 0<br />
35 39 1 0 0 0 0<br />
32 30 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 />
25 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 -0.7461 0.0000<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 0.4732 -0.4732<br />
S SKP 5<br />
ID FL3FACDS0007<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES OCC(O1)C(O)C(O)C(C(c(c2O)c(cc(O3)c(C(C=C3c(c4)ccc(O)c4OC(O5)C(C(C(O)C(CO)5)O)O)=O)2)O)1)O<br />
M END<br />
</pre></div>
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