Mol:FL3FA9CS0002
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 |
| − | -1.1119 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1119 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1119 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1119 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3974 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3974 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3171 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3171 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3171 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3171 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3974 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3974 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0317 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0317 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7460 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7460 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7460 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7460 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0317 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0317 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0317 -2.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0317 -2.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8260 -0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8260 -0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1852 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1852 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9630 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9630 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6331 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6331 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6242 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6242 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0291 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0291 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4210 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4210 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5481 2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5481 2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9630 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9630 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9922 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9922 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3974 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3974 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5398 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5398 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2927 -0.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2927 -0.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0456 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0456 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0456 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0456 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2927 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2927 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5398 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5398 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7793 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7793 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3024 -2.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3024 -2.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6160 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6160 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9536 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9536 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4349 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4349 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0356 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0356 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0456 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0456 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0299 -2.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0299 -2.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7793 -1.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7793 -1.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0724 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0724 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9898 1.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9898 1.3717 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 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 2 1 0 0 0 0 | + | 32 2 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 18 38 1 0 0 0 0 | + | 18 38 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 43 -0.4933 -0.4933 | + | M SBV 1 43 -0.4933 -0.4933 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9CS0002 | + | ID FL3FA9CS0002 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(O)c(c2c3C(O4)C(C(C(O)C4CO)O)O)C(=O)C=C(O2)c(c1)cccc1 | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(O)c(c2c3C(O4)C(C(C(O)C4CO)O)O)C(=O)C=C(O2)c(c1)cccc1 |
M END | M END | ||
| − | |||
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
-1.1119 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3974 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3974 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7460 -1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7460 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 -2.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8260 -0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1852 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6331 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6242 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0291 0.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4210 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5481 2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9922 0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3974 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5398 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 -0.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0456 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0456 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2927 0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5398 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 -1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3024 -2.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6160 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9536 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4349 -1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0356 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0456 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0299 -2.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 -1.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0724 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9898 1.3717 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
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
30 35 1 0 0 0 0
31 36 1 0 0 0 0
32 2 1 0 0 0 0
29 37 1 0 0 0 0
38 39 1 0 0 0 0
18 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 -0.4933 -0.4933
S SKP 5
ID FL3FA9CS0002
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(O)c(c2c3C(O4)C(C(C(O)C4CO)O)O)C(=O)C=C(O2)c(c1)cccc1
M END
