Mol:FL3FALGS0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
0.4097 -1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 -2.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1085 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8072 -2.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8072 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1085 -1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5060 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2048 -2.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2048 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5060 -1.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7719 -3.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9033 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6154 -1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3275 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3275 -0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6154 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9033 -0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1085 -3.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0395 -0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0395 -1.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 -1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1513 -0.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9258 3.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4121 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 1.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9399 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2353 1.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2824 2.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1785 3.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 3.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3454 0.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5464 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7477 -2.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5974 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2941 -1.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4690 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2112 -1.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6615 -2.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6676 -2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5593 -0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0395 -0.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
17 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 21 1 0 0 0 0
41 42 1 0 0 0 0
37 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ CH2OH
M SBV 1 46 1.0903 -0.7102
S SKP 5
ID FL3FALGS0004
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c(C(=C3)Oc(c4)c(c(cc(OC(C(O)5)OC(CO)C(O)C5O)4)O)C3=O)2)(cc(O)c(O)c2)OC(C(O)1)OCC(O)C1O
M END
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