Mol:FL5FAAGS0115
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.1438 4.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1438 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5728 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5728 4.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4294 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2851 3.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9996 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9996 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2851 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4294 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2851 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 3.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0357 1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1735 4.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 0.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7379 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0867 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3313 0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9433 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3346 0.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8057 -1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -1.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9614 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6783 -1.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -2.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1768 -2.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3521 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1547 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8536 -1.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4031 -2.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1321 -2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5230 -3.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1144 -3.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9741 0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6885 0.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9741 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 -1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6885 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9740 -2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9740 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 -3.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4031 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6886 -4.5148 0.0000 O 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
32 37 1 0 0 0 0
25 19 1 0 0 0 0
28 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
S SKP 5
ID FL5FAAGS0115
FORMULA C36H36O17
EXACTMASS 740.1952497259999
AVERAGEMASS 740.66084
SMILES C(C)(O1)C(O)C(O)C(C1OCC(O2)C(C(O)C(OC(C=Cc(c6)ccc(O)c6)=O)C2OC(C5=O)=C(Oc(c45)cc(cc(O)4)O)c(c3)ccc(c3)O)O)O
M END
