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Mol:FL3FACCS0027 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
-1.3049 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.3049 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.5901 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1246 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.1246 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-0.5901 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8394 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5541 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.5541 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8394 1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-0.5901 -1.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
2.3482 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.1014 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8545 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8545 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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2.3482 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6073 2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-1.9929 -0.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.0874 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.4218 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.7787 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1316 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.7970 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.4402 -1.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.7085 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.8627 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1465 -2.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1302 -2.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.6073 0.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.5834 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.6073 0.6779 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 />
1 12 1 0 0 0 0<br />
3 13 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 18 1 0 0 0 0<br />
18 19 2 0 0 0 0<br />
19 14 1 0 0 0 0<br />
14 9 1 0 0 0 0<br />
17 20 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
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 />
35 30 1 0 0 0 0<br />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
32 38 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
34 29 1 0 0 0 0<br />
24 2 1 0 0 0 0<br />
16 40 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
26 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 46<br />
M SMT 1 ^CH2OH<br />
M SBV 1 46 0.4892 -0.5105<br />
S SKP 5<br />
ID FL3FACCS0027<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES c(c1)c(c(cc1C(=C5)Oc(c4)c(C5=O)c(c(c4O)C(C(OC(C(O)3)OC(C)C(C(O)3)O)2)OC(C(O)C2O)CO)O)O)O<br />
M END<br />
</pre></div>
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