Mol:FL7AAAGL0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.5596 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5596 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7507 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9420 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9420 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7507 2.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3244 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3244 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 2.1115 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4841 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 3.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4841 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3681 2.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9568 3.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7507 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5524 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8414 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4515 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9559 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3681 -0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5958 -1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 -0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3070 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8114 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2015 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4514 0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8922 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7602 1.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7853 0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4975 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2107 -0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7519 -1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8028 -1.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9559 -2.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 -2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 -2.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2894 -2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1411 -2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1817 -2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4191 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8315 -2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4191 -3.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 -3.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6552 -2.8246 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 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
39 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0021
FORMULA C36H37O16
EXACTMASS 725.2081601360001
AVERAGEMASS 725.66938
SMILES c(O)(c1)ccc(c([o+1]6)c(cc(c56)c(O)cc(c5)O)OC(C4O)OC(C(C4O)O)COC(C(O)2)OC(C(OC(=O)C=Cc(c3)ccc(O)c3)C(O)2)C)c1
M END
