Mol:FL5FAAGL0072
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-4.4606 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4606 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7461 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0315 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0315 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7461 3.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6025 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6025 3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 3.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7029 3.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0254 3.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7536 3.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7536 4.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0254 4.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7029 4.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7461 1.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0963 3.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2697 1.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1737 -3.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 -4.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -3.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5513 -4.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4051 -4.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7788 -3.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5264 -3.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9001 -4.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5264 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7788 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6471 -4.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4647 0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1813 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4647 -1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1453 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3576 1.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7410 -1.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 -2.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5175 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3114 -3.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5413 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8542 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2279 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9755 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3492 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9755 3.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2279 3.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0963 2.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7399 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 2.3581 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
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
44 53 1 0 0 0 0
53 54 2 0 0 0 0
39 53 1 0 0 0 0
S SKP 5
ID FL5FAAGL0072
FORMULA C39H32O15
EXACTMASS 740.174120354
AVERAGEMASS 740.66238
SMILES Oc(c6)ccc(c6)C=CC(OCC(C(O)2)OC(OC(=C4c(c5)ccc(c5)O)C(c(c3O4)c(cc(c3)O)O)=O)C(C2O)OC(=O)C=Cc(c1)ccc(c1)O)=O
M END
