Mol:FL2FAAGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4265 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4265 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3307 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 -0.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1558 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0707 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9018 -0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7120 -0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3030 -1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4342 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7585 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0670 -2.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 -2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 -2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7361 -3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0645 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3307 -0.0065 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 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 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 29 1 0 0 0 0
24 20 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ CH2OH
M SBV 1 45 0.5085 -0.4362
S SKP 5
ID FL2FAAGS0006
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES c(c3)(cc(c1c3OC(C4OC(C5O)OC(C)C(C5O)O)OC(C(C4O)O)CO)OC(c(c2)ccc(c2)O)CC1=O)O
M END
