Mol:FL3FABGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
0.8755 -0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8755 0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1610 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1610 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0190 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0190 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4561 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1615 0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1615 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4561 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7455 2.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4461 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8755 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4781 0.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1042 1.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6938 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1102 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 1.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5356 1.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3152 0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3574 0.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5807 1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2188 1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7809 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1716 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3887 -0.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5891 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1982 -0.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9812 -0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4916 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7420 -0.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9959 -1.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5622 -1.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5712 -2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8889 -2.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9712 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9705 2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5600 1.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7658 1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9764 1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3868 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1812 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5267 2.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1956 2.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4461 2.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1793 1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3289 1.2453 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
17 18 1 0 0 0 0
7 19 2 0 0 0 0
1 20 1 0 0 0 0
5 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
21 25 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
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
30 37 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
46 47 1 1 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
32 49 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
S SKP 5
ID FL3FABGS0015
FORMULA C36H44O20
EXACTMASS 796.242593848
AVERAGEMASS 796.7225599999999
SMILES C(C6OC(C)=O)(C(OC(C6O)OC(C2O)C(Oc(c3)cc(O)c(C(=O)4)c3OC(c(c5)ccc(OC)c5)=C4)OC(C(O)2)COC(C(O)1)OC(CO)C(O)C(O)1)C)O
M END
