Mol:FL5FAAGL0077
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
60 65 0 0 0 0 0 0 0 0999 V2000
-4.4916 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4916 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7771 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0627 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7771 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3482 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3482 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3482 1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7341 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0059 3.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7223 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0059 4.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7341 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7771 1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7415 5.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1272 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6104 1.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4938 -3.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 -4.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4122 -3.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7249 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 -3.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8462 -3.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2199 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8462 -5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0987 -5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9669 -4.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 0.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 -0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0097 -0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0170 1.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7405 -1.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0395 -2.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0087 -3.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7683 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2068 2.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6257 -0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4206 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 -3.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 -3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5536 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6922 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0984 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9106 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3167 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9106 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0984 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1272 2.7034 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
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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 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
33 39 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
36 42 1 0 0 0 0
34 21 1 0 0 0 0
22 43 1 0 0 0 0
43 42 1 0 0 0 0
4 3 1 0 0 0 0
39 44 1 0 0 0 0
44 45 2 0 0 0 0
40 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 2 0 0 0 0
41 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 2 0 0 0 0
44 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 54 1 0 0 0 0
57 60 1 0 0 0 0
S SKP 5
ID FL5FAAGL0077
FORMULA C43H36O17
EXACTMASS 824.1952497259999
AVERAGEMASS 824.7357400000001
SMILES C(OCC(C6OC(C)=O)OC(C(C(OC(C)=O)6)OC(=O)C=Cc(c5)ccc(O)c5)OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(O)c2)(=O)C=Cc(c1)ccc(c1)O
M END
