Mol:FL5FACGS0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-3.5054 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5054 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8981 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2908 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2908 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8981 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0762 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0762 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 1.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 -0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4518 1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7862 1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7862 1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 2.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4518 1.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8981 -0.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4163 2.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0457 1.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 2.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5704 0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1387 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9568 -0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4568 -0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1444 -0.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7315 -0.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -1.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0887 -1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1216 -1.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0838 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4047 -1.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0838 -1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0457 -1.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4044 -2.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9091 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4389 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4389 -0.6603 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
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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 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
24 29 1 0 0 0 0
25 30 1 0 0 0 0
21 23 1 0 0 0 0
26 31 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
27 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 44 45 46
M SBL 1 1 50
M SMT 1 COOH
M SBV 1 50 -0.7366 -0.0192
S SKP 5
ID FL5FACGS0052
FORMULA C30H24O16
EXACTMASS 640.1064347199999
AVERAGEMASS 640.50196
SMILES C(OC(C(O)2)C(OC(=C4c(c5)cc(c(c5)O)O)C(c(c3O)c(O4)cc(c3)O)=O)OC(C2O)C(O)=O)(=O)C=Cc(c1)ccc(O)c(O)1
M END
