Mol:FL3FECGS0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4158 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4158 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 -0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7614 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7614 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4092 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6409 1.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 -1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6862 0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9597 -0.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9136 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6377 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5529 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4986 1.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7814 -0.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1770 -0.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4152 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3004 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0194 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3004 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4152 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6960 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7814 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5202 -1.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0882 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5852 -0.4201 0.0000 C 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 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 21 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 5
ID FL3FECGS0019
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES O=C(c13)C=C(c(c4)ccc(OC(C5O)OC(C(O)C5O)C)c(O)4)Oc(cc(c(O)c3O)OC(O2)C(O)C(O)C(C2)O)1
M END
