Mol:FL5FACGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.0946 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3936 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3936 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2905 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2905 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 1.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -1.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8392 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8392 2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4400 -0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3936 -0.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 2.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7397 -1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 -0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2383 -1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 -2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7397 -2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 -0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9681 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4238 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3269 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7913 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3894 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 0.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9457 -0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7913 -0.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 3.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 -2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7913 -1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7954 -1.5483 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
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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
28 31 1 0 0 0 0
16 38 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
41 42 1 0 0 0 0
33 41 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 CH2OH
M SBV 1 44 0.0000 0.8561
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 CH2OH
M SBV 2 46 0.0000 0.4542
S SKP 5
ID FL5FACGA0002
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O
M END
