Mol:FL3FAACS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9473 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9473 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9473 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9473 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2328 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2328 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5184 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5184 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5184 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5184 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2328 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2328 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1961 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1961 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9106 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9106 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9106 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9106 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1961 -0.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1961 -0.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1988 -2.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1988 -2.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2328 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2328 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7043 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7043 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4571 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4571 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2100 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2100 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2100 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2100 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4571 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4571 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7043 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7043 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9625 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9625 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1992 2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1992 2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6839 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6839 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8224 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8224 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2241 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2241 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4113 0.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4113 0.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3795 1.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3795 1.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2251 3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2251 3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3651 3.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3651 3.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6885 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6885 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4833 -2.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4833 -2.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3132 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3132 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9941 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9941 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4168 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4168 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5868 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5868 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5600 -1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5600 -1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8650 -2.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8650 -2.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9625 -3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9625 -3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6221 -0.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6221 -0.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3511 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3511 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8808 1.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8808 1.1783 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 1 38 1 0 0 0 0 | + | 1 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 25 39 1 0 0 0 0 | + | 25 39 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -0.7306 -0.3822 | + | M SBV 1 44 -0.7306 -0.3822 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0052 | + | ID FL3FAACS0052 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)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/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.9473 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9473 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1961 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1961 -0.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 -2.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 -2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7043 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2100 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2100 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7043 0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9625 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6839 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8224 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2241 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 0.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3795 1.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2251 3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 3.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6885 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4833 -2.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3132 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9941 -2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4168 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9061 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5600 -1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 -2.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9625 -3.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -0.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3511 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8808 1.1783 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
29 30 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 29 1 0 0 0 0
31 35 1 0 0 0 0
32 36 1 0 0 0 0
30 37 1 0 0 0 0
1 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.7306 -0.3822
S SKP 5
ID FL3FAACS0052
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
