Mol:FL2FAAGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-0.8914 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2523 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9669 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2523 -0.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2523 -2.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -2.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7621 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4874 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2127 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2127 0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4874 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7621 0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3244 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8495 -0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1655 -0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4526 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9851 -0.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6838 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9364 -0.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5865 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5660 -1.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1131 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6228 -0.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6259 0.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6315 1.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2240 1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0039 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9364 1.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9094 -1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2665 -2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5797 -2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8889 -2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5318 -1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2185 -1.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6480 -1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7116 -2.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9861 -2.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8803 -2.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0008 2.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 2.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2668 2.9542 0.0000 O 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
6 29 1 0 0 0 0
29 22 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
16 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
39 27 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
33 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 45 46 47
M SBL 1 1 51
M SMT 1 COOH
M SBV 1 51 -0.0031 -0.6717
S SKP 5
ID FL2FAAGS0021
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES OC(C5C)C(C(C(O5)OC(C1O)C(Oc(c2)cc(c(C(=O)3)c2OC(c(c4)ccc(O)c4)C3)O)OC(C(O)1)COC(=O)CC(O)=O)O)O
M END
