Mol:FL5FACGS0032
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1247 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1247 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1247 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1247 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4100 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4100 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6955 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6955 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6955 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6955 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4100 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4100 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0190 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0190 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7335 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7335 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7335 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7335 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0190 0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0190 0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0204 -2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0204 -2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6331 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6331 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3614 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3614 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0897 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0897 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0897 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0897 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3614 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3614 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6331 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6331 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4100 -2.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4100 -2.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8690 1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8690 1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4790 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4790 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8130 0.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8130 0.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3614 2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3614 2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5689 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5689 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9255 -1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9255 -1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6730 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6730 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0595 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0595 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3165 -1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3165 -1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8527 -1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8527 -1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7888 -0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7888 -0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7964 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7964 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2109 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2109 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5161 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5161 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7366 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7366 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5161 1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5161 1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2109 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2109 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9905 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9905 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8901 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8901 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5161 1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5161 1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5729 1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5729 1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7964 0.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7964 0.2409 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 |
| − | 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 33 21 1 0 0 0 0 | + | 33 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0032 | + | ID FL5FACGS0032 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c(O)5)cc(cc5O)C(O2)=C(C(c(c(O)3)c2cc(OC(C(O)4)OC(C)C(O)C4O)c3)=O)OC(C1O)OCC(C1O)O | + | SMILES c(c(O)5)cc(cc5O)C(O2)=C(C(c(c(O)3)c2cc(OC(C(O)4)OC(C)C(O)C4O)c3)=O)OC(C1O)OCC(C1O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
-2.1247 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 -1.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7335 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0204 -2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6331 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3614 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0897 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3614 1.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6331 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 -2.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8690 1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8130 0.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3614 2.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5689 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 -1.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0595 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3165 -1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 -0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7964 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2109 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5161 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7366 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5161 1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2109 1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9905 1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8901 2.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5161 1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5729 1.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7964 0.2409 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 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 20 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 21 1 0 0 0 0
S SKP 5
ID FL5FACGS0032
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c(O)5)cc(cc5O)C(O2)=C(C(c(c(O)3)c2cc(OC(C(O)4)OC(C)C(O)C4O)c3)=O)OC(C1O)OCC(C1O)O
M END
