Mol:FL7AAGGL0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
-1.8964 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9614 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9614 1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2470 1.8770 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7379 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8071 3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8199 0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4764 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1819 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 1.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9027 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3904 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9696 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1939 -1.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6870 -1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1123 -3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1163 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8319 -2.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 -2.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 -1.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1245 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5894 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -2.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0024 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -2.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6215 -2.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3326 -3.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9732 -2.4233 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 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
26 18 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 29 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
43 46 1 0 0 0 0
42 47 1 0 0 0 0
41 48 1 0 0 0 0
40 49 1 0 0 0 0
44 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0043
FORMULA C30H33O19
EXACTMASS 697.161603874
AVERAGEMASS 697.57162
SMILES c(c(OC(C4OC(O5)C(O)C(O)C(O)C5C)OC(C(C4O)O)COC(=O)CC(O)=O)1)c(c(O)3)c(cc(O)c3)[o+1]c(c(c2)cc(c(c(O)2)O)O)1
M END
