Mol:FL7AEAGL0001
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 |
| − | -2.0055 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0055 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0055 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0055 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2911 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2911 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5766 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5766 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5766 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5766 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2911 2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2911 2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1379 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1379 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8523 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8523 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8523 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8523 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1379 2.3726 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.1379 2.3726 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6289 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6289 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3433 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3433 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0578 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0578 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0578 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0578 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3433 3.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3433 3.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6289 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6289 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6980 3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6980 3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5855 2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5855 2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2911 -0.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2911 -0.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5025 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5025 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2165 -1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2165 -1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5823 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5823 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2741 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2741 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4639 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4639 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0980 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0980 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4021 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4021 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7639 -1.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7639 -1.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2105 -1.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2105 -1.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7934 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7934 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2658 -1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2658 -1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7548 -2.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7548 -2.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0759 -3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0759 -3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3165 -2.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3165 -2.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4985 -2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4985 -2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1772 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1772 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9367 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9367 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6980 -3.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6980 -3.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3892 -2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3892 -2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7926 -3.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7926 -3.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4573 -3.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4573 -3.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6610 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6610 0.7567 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 2 0 0 0 0 | + | 7 8 2 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 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 2 42 1 0 0 0 0 | + | 2 42 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AEAGL0001 | + | ID FL7AEAGL0001 |
| − | FORMULA C27H31O15 | + | FORMULA C27H31O15 |
| − | EXACTMASS 595.166295322 | + | EXACTMASS 595.166295322 |
| − | AVERAGEMASS 595.52604 | + | AVERAGEMASS 595.52604 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c(c5)ccc(O)c5)[o+1]c(c4)c(c(c(c4O)O)O)3)2)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c(c5)ccc(O)c5)[o+1]c(c4)c(c(c(c4O)O)O)3)2)O)C(C(O)C(O)1)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
-2.0055 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2911 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5766 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5766 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2911 2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1379 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8523 1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8523 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1379 2.3726 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.6289 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3433 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0578 2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0578 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3433 3.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 3.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6980 3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5855 2.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2911 -0.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5025 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2165 -1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5823 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2741 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4639 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0980 -0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4021 -0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7639 -1.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2105 -1.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2658 -1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7548 -2.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0759 -3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3165 -2.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4985 -2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9367 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6980 -3.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3892 -2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 -3.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4573 -3.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6610 0.7567 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
31 36 1 0 0 0 0
24 20 1 0 0 0 0
2 42 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AEAGL0001
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c(c5)ccc(O)c5)[o+1]c(c4)c(c(c(c4O)O)O)3)2)O)C(C(O)C(O)1)O
M END
