Mol:FL5FACGS0100
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
-1.5916 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5916 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5518 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3061 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0205 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0205 1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3061 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2663 1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9807 2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9807 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2663 3.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5518 3.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6951 1.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3061 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7350 2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6951 3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6439 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2759 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9314 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 -0.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7120 -1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2073 -1.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5518 0.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8066 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2040 -2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1915 -2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9060 -2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6204 -2.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4770 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9060 -3.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -1.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7170 -2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6315 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9933 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3614 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4468 -0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6277 -0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7350 -0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2922 -2.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2396 -2.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0970 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 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 1 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 2 1 0 0 0 0
7 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
3 17 2 0 0 0 0
14 21 1 0 0 0 0
13 18 1 0 0 0 0
11 19 1 0 0 0 0
9 20 1 0 0 0 0
4 29 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
25 29 1 0 0 0 0
24 45 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
28 32 1 0 0 0 0
33 32 1 0 0 0 0
34 33 1 0 0 0 0
35 34 1 0 0 0 0
36 35 1 0 0 0 0
33 37 2 0 0 0 0
35 38 2 0 0 0 0
39 40 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
43 45 1 0 0 0 0
42 46 1 0 0 0 0
41 47 1 0 0 0 0
40 48 1 0 0 0 0
39 49 1 0 0 0 0
S SKP 5
ID FL5FACGS0100
FORMULA C30H32O19
EXACTMASS 696.153778842
AVERAGEMASS 696.56368
SMILES c(c(O)5)(c(cc(O)c5)4)C(C(=C(O4)c(c3)ccc(c3O)O)OC(C1OC(C2O)OC(C(O)C(O)2)C)OC(COC(CC(O)=O)=O)C(C1O)O)=O
M END
