Mol:FL3FADGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-2.6335 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6335 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9191 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2046 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2046 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9191 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -2.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2242 -1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2242 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -0.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2184 -2.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0903 -0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6085 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4547 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5759 -0.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4230 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3017 -0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9661 0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0863 -0.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6931 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0957 1.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1629 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9681 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1924 0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3296 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6931 2.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6706 1.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7861 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9191 -2.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 1.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6458 2.9995 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
18 15 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
18 21 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 19 1 0 0 0 0
3 38 1 0 0 0 0
39 40 1 0 0 0 0
16 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 -0.3642 -0.8635
S SKP 5
ID FL3FADGS0014
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES O(C1Oc(c2)cc(O)c(C(=O)5)c2OC(=C5)c(c4)ccc(c4OC)OC(O3)C(O)C(O)C(O)C3)CC(C(O)C1O)O
M END
