Mol:FL3FACCS0042
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5332 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5332 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5332 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5332 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8188 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8188 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1043 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1043 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1043 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1043 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8188 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8188 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6101 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6101 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3246 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3246 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3246 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3246 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6101 -0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6101 -0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6101 -2.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6101 -2.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2474 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2474 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8188 -2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8188 -2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1183 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1183 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8712 -0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8712 -0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6240 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6240 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6240 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6240 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8712 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8712 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1183 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1183 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3765 1.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3765 1.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6599 2.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6599 2.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1077 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1077 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0989 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0989 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5038 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5038 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8956 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8956 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0730 2.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0730 2.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4841 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4841 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2005 -1.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2005 -1.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7239 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7239 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0374 -2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0374 -2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3750 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3750 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8563 -1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8563 -1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4569 -1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4569 -1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0393 -1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0393 -1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3765 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3765 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5959 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5959 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3765 -0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3765 -0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 16 39 1 0 0 0 0 | + | 16 39 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0042 | + | ID FL3FACCS0042 |
| − | FORMULA C25H26O14 | + | FORMULA C25H26O14 |
| − | EXACTMASS 550.13225554 | + | EXACTMASS 550.13225554 |
| − | AVERAGEMASS 550.4655399999999 | + | AVERAGEMASS 550.4655399999999 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(c(c(c4C(C(O)5)OCC(C5O)O)O)3)OC(=CC3=O)c(c2)cc(c(c2)O)O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(c(c(c4C(C(O)5)OCC(C5O)O)O)3)OC(=CC3=O)c(c2)cc(c(c2)O)O)O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.5332 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5332 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1043 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1043 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3246 -1.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3246 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -2.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2474 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8188 -2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8712 -0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6240 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6240 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8712 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3765 1.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6599 2.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1077 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0989 0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5038 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0730 2.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 2.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4841 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2005 -1.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7239 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0374 -2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3750 -2.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8563 -1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4569 -1.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 -1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3765 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5959 -2.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3765 -0.6591 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 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
1 12 1 0 0 0 0
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
16 39 1 0 0 0 0
S SKP 5
ID FL3FACCS0042
FORMULA C25H26O14
EXACTMASS 550.13225554
AVERAGEMASS 550.4655399999999
SMILES C(O1)C(C(C(C1c(c4O)c(c(c(c4C(C(O)5)OCC(C5O)O)O)3)OC(=CC3=O)c(c2)cc(c(c2)O)O)O)O)O
M END
