Mol:FL5FACGS0107
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3719 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3719 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6574 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6574 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6574 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6574 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3719 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3719 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0864 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0864 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0864 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0864 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9430 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9430 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4859 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4859 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4859 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4859 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9430 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9430 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2003 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2003 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9148 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9148 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9148 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9148 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2003 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2003 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6293 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6293 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5419 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5419 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2003 -0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2003 -0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6783 2.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6783 2.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3719 3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3719 3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3098 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3098 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5140 -2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5140 -2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4035 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4035 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5797 -0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5797 -0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3156 -1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3156 -1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7003 -1.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7003 -1.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0489 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0489 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3682 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3682 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8684 -1.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8684 -1.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5613 -2.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5613 -2.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2996 -1.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2996 -1.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0480 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0480 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3065 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3065 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4709 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4709 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1469 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1469 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3319 -2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3319 -2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6969 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6969 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0208 -2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0208 -2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8359 -2.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8359 -2.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9672 -3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9672 -3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2398 -2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2398 -2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6783 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6783 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1348 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1348 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 33 1 0 0 0 0 | + | 23 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 39 44 1 0 0 0 0 | + | 39 44 1 0 0 0 0 |
| − | 38 45 1 0 0 0 0 | + | 38 45 1 0 0 0 0 |
| − | 37 46 1 0 0 0 0 | + | 37 46 1 0 0 0 0 |
| − | 41 32 1 0 0 0 0 | + | 41 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0107 | + | ID FL5FACGS0107 |
| − | FORMULA C29H32O17 | + | FORMULA C29H32O17 |
| − | EXACTMASS 652.163949598 | + | EXACTMASS 652.163949598 |
| − | AVERAGEMASS 652.55418 | + | AVERAGEMASS 652.55418 |
| − | SMILES c(C(O3)=C(OC(C(OC(C)=O)5)OC(C(O)C5O)COC(C(O)4)OC(C)C(O)C4O)C(=O)c(c23)c(cc(O)c2)O)(c1)cc(c(c1)O)O | + | SMILES c(C(O3)=C(OC(C(OC(C)=O)5)OC(C(O)C5O)COC(C(O)4)OC(C)C(O)C4O)C(=O)c(c23)c(cc(O)c2)O)(c1)cc(c(c1)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/
46 50 0 0 0 0 0 0 0 0999 V2000
2.3719 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3719 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0864 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0864 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4859 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9148 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9148 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 -0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6293 1.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5419 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 -0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6783 2.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3719 3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3098 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5140 -2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4035 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5797 -0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3156 -1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7003 -1.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3682 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8684 -1.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5613 -2.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2996 -1.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0480 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4709 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 -2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3319 -2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6969 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0208 -2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8359 -2.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9672 -3.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2398 -2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6783 -1.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1348 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
29 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
26 19 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
39 44 1 0 0 0 0
38 45 1 0 0 0 0
37 46 1 0 0 0 0
41 32 1 0 0 0 0
S SKP 5
ID FL5FACGS0107
FORMULA C29H32O17
EXACTMASS 652.163949598
AVERAGEMASS 652.55418
SMILES c(C(O3)=C(OC(C(OC(C)=O)5)OC(C(O)C5O)COC(C(O)4)OC(C)C(O)C4O)C(=O)c(c23)c(cc(O)c2)O)(c1)cc(c(c1)O)O
M END
