Mol:FL2FA9GS0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1648 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1648 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1648 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1648 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5487 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2622 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2622 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2622 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2622 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5487 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9758 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9758 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6893 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6893 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6893 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6893 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9758 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9758 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4026 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4026 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1299 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1299 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8571 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8571 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8571 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8571 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1299 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1299 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4026 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4026 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9758 -1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9758 -1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8781 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8781 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5487 -2.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 -2.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7352 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7352 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3981 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3981 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2126 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2126 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1500 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1500 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4871 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4871 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6726 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6726 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9029 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9029 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3905 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3905 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8571 0.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8571 0.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8505 -0.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8505 -0.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2753 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2753 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7778 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7778 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7344 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7344 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6969 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6969 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1945 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1945 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2378 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2378 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4309 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4309 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2634 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2634 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6614 -2.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6614 -2.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8019 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8019 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5017 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5017 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5017 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5017 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5017 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5017 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7180 2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7180 2.0750 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 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 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 30 35 1 1 0 0 0 | + | 30 35 1 1 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 41 43 2 0 0 0 0 | + | 41 43 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0007 | + | ID FL2FA9GS0007 |
| − | FORMULA C29H34O14 | + | FORMULA C29H34O14 |
| − | EXACTMASS 606.194855796 | + | EXACTMASS 606.194855796 |
| − | AVERAGEMASS 606.57186 | + | AVERAGEMASS 606.57186 |
| − | SMILES O(C1Oc(c3)cc(O4)c(C(CC(c(c5)cccc5)4)=O)c3O)C(COC(C)=O)C(C(O)C1OC(C2O)OC(C)C(C2O)O)O | + | SMILES O(C1Oc(c3)cc(O4)c(C(CC(c(c5)cccc5)4)=O)c3O)C(COC(C)=O)C(C(O)C1OC(C2O)OC(C)C(C2O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.1648 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1648 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2622 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2622 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9758 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 -0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9758 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4026 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1299 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8571 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8571 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1299 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4026 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9758 -1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8781 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 -2.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7352 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2126 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1500 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4871 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9029 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3905 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8571 0.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 -0.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2753 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7778 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7344 -1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6969 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1945 -2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2378 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4309 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 -2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6614 -2.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8019 -2.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5017 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5017 2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5017 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7180 2.0750 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
20 25 1 1 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
23 28 1 0 0 0 0
25 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
30 35 1 1 0 0 0
29 31 1 0 0 0 0
33 36 1 0 0 0 0
30 37 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
26 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 2 0 0 0 0
S SKP 5
ID FL2FA9GS0007
FORMULA C29H34O14
EXACTMASS 606.194855796
AVERAGEMASS 606.57186
SMILES O(C1Oc(c3)cc(O4)c(C(CC(c(c5)cccc5)4)=O)c3O)C(COC(C)=O)C(C(O)C1OC(C2O)OC(C)C(C2O)O)O
M END
