Mol:FL3FFAGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-1.1558 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1558 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2731 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7020 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7020 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8455 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8455 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9876 -2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -2.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5917 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8755 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2314 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8700 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7856 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3403 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4245 1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2386 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6563 1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5327 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 -0.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5754 2.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 2.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2314 2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6839 2.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1477 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5083 2.8156 0.0000 C 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
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
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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
19 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 2 0 0 0 0
29 34 1 0 0 0 0
34 38 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 5
ID FL3FFAGS0017
FORMULA C26H28O12
EXACTMASS 532.15807636
AVERAGEMASS 532.49332
SMILES c(c4)(ccc(c4)OC)C(O1)=CC(=O)c(c(O)2)c1c(OC(O3)C(O)C(C(O)C(C(OCCCC)=O)3)O)c(O)c2
M END
