Mol:FL2FA8GS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3784 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3784 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0928 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0928 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8073 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8073 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8073 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8073 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0928 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0928 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3784 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3784 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5217 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5217 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2360 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2360 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2360 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2360 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5217 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5217 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9498 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9498 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5217 -2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5217 -2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6828 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6828 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4156 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4156 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4156 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4156 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6828 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6828 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9498 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9498 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0928 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0928 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3354 -0.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3354 -0.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3046 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3046 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0253 -0.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0253 -0.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4185 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4185 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7395 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7395 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9793 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9793 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0727 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0727 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7517 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7517 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5118 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5118 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6928 1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6928 1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5130 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5130 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2168 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2168 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4070 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4070 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5870 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5870 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8831 0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8831 0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0127 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0127 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7980 0.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7980 0.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8799 -0.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8799 -0.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4195 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4195 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4402 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4402 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0253 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0253 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9423 1.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9423 1.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1465 2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1465 2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7121 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7121 1.8615 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 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 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 32 1 0 0 0 0 | + | 35 32 1 0 0 0 0 |
| − | 22 36 1 0 0 0 0 | + | 22 36 1 0 0 0 0 |
| − | 23 37 1 0 0 0 0 | + | 23 37 1 0 0 0 0 |
| − | 24 38 1 0 0 0 0 | + | 24 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | 29 41 1 0 0 0 0 | + | 29 41 1 0 0 0 0 |
| − | 28 42 1 0 0 0 0 | + | 28 42 1 0 0 0 0 |
| − | 34 27 1 0 0 0 0 | + | 34 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA8GS0002 | + | ID FL2FA8GS0002 |
| − | FORMULA C27H32O15 | + | FORMULA C27H32O15 |
| − | EXACTMASS 596.174120354 | + | EXACTMASS 596.174120354 |
| − | AVERAGEMASS 596.5339799999999 | + | AVERAGEMASS 596.5339799999999 |
| − | SMILES c(c14)(C(=O)CC(c(c5)c(O)ccc5O)O4)c(cc(OC(C(O)2)OC(COC(O3)C(C(O)C(O)C3C)O)C(O)C2O)c1)O | + | SMILES c(c14)(C(=O)CC(c(c5)c(O)ccc5O)O4)c(cc(OC(C(O)2)OC(COC(O3)C(C(O)C(O)C3C)O)C(O)C2O)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/
42 46 0 0 0 0 0 0 0 0999 V2000
0.3784 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0928 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8073 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8073 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0928 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3784 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9498 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6828 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4156 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4156 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6828 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9498 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0928 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3354 -0.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3046 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0253 -0.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4185 -0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7395 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9793 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7517 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5118 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6928 1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5130 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2168 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4070 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5870 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8831 0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0127 0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7980 0.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8799 -0.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4195 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4402 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0253 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9423 1.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1465 2.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7121 1.8615 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
17 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 25 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
34 35 1 0 0 0 0
35 32 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
31 39 1 0 0 0 0
30 40 1 0 0 0 0
29 41 1 0 0 0 0
28 42 1 0 0 0 0
34 27 1 0 0 0 0
S SKP 5
ID FL2FA8GS0002
FORMULA C27H32O15
EXACTMASS 596.174120354
AVERAGEMASS 596.5339799999999
SMILES c(c14)(C(=O)CC(c(c5)c(O)ccc5O)O4)c(cc(OC(C(O)2)OC(COC(O3)C(C(O)C(O)C3C)O)C(O)C2O)c1)O
M END
