Mol:FL3FACGS0065
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 |
| − | -4.5261 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5261 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5261 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5261 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8640 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8640 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2020 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2020 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2020 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2020 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8640 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8640 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5400 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5400 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8779 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8779 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8779 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8779 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5400 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5400 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5400 -2.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5400 -2.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2161 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2161 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5414 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1333 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1333 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1333 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1333 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5414 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2161 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2161 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8640 -2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8640 -2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2030 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2030 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8080 1.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8080 1.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5414 1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8195 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8195 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2505 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2505 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3446 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3446 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4453 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4453 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0145 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0145 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9203 -0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9203 -0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8879 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8879 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2063 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2063 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6374 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6374 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7316 1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7316 1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8322 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8322 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4014 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4014 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3071 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3071 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4398 1.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4398 1.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1097 2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1097 2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2030 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2030 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6513 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6513 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9145 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9145 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6867 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6867 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7008 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7008 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4260 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4260 -2.2757 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 |
| − | 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
| − | 30 20 1 0 0 0 0 | + | 30 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0065 | + | ID FL3FACGS0065 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C(O)1)(O)C(O)C(Oc(c3)c(O)cc(C(=C5)Oc(c4)c(C5=O)c(cc(O)4)O)c3)OC1COC(O2)C(C(O)C(O)C2C)O | + | SMILES C(C(O)1)(O)C(O)C(Oc(c3)c(O)cc(C(=C5)Oc(c4)c(C5=O)c(cc(O)4)O)c3)OC1COC(O2)C(C(O)C(O)C2C)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
-4.5261 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5261 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8640 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2020 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2020 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8640 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 -1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8779 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8779 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 -2.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1333 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1333 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8640 -2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2030 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8080 1.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3446 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4453 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0145 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9203 -0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2063 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6374 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7316 1.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8322 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4014 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3071 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4398 1.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 2.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2030 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6513 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9145 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6867 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7008 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4260 -2.2757 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
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
16 21 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
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 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
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 20 1 0 0 0 0
S SKP 5
ID FL3FACGS0065
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C(O)1)(O)C(O)C(Oc(c3)c(O)cc(C(=C5)Oc(c4)c(C5=O)c(cc(O)4)O)c3)OC1COC(O2)C(C(O)C(O)C2C)O
M END
