Mol:FL2FAAGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.1938 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1938 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1938 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1938 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4793 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4793 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7649 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7649 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7649 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7649 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4793 0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4793 0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3359 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0504 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0504 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6217 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6217 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1065 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1065 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8345 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8345 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8345 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8345 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1065 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1065 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6217 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6217 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0504 -1.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0504 -1.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9082 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9082 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5627 1.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5627 1.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4793 -1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4793 -1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3180 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3180 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1236 1.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1236 1.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8171 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8171 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3892 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3892 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5837 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5837 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3955 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3955 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2271 1.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2271 1.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9082 1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9082 1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3700 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3700 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5720 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5720 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2552 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2552 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6877 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6877 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8561 -0.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8561 -0.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0193 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0193 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5868 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5868 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4185 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4185 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4623 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4623 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0810 -0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0810 -0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0396 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0396 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2639 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2639 -1.8316 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 |
| − | 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 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 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 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 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 32 37 1 1 0 0 0 | + | 32 37 1 1 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0017 | + | ID FL2FAAGS0017 |
| − | FORMULA C27H32O14 | + | FORMULA C27H32O14 |
| − | EXACTMASS 580.179205732 | + | EXACTMASS 580.179205732 |
| − | AVERAGEMASS 580.53458 | + | AVERAGEMASS 580.53458 |
| − | SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c5)ccc(c5)C(C4)Oc(c3C4=O)cc(cc3O)O)C(C(O)2)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c5)ccc(c5)C(C4)Oc(c3C4=O)cc(cc3O)O)C(C(O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
-4.1938 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1938 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7649 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7649 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -1.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 0.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6217 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8345 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8345 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6217 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 -1.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9082 0.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 1.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 -1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8901 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 1.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8171 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3892 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5837 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2271 1.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9082 1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3700 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5720 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2552 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6877 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8561 -0.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0193 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5868 -1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4623 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 -0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0396 -1.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2639 -1.8316 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
19 22 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
32 37 1 1 0 0 0
31 33 1 0 0 0 0
35 38 1 0 0 0 0
36 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
S SKP 5
ID FL2FAAGS0017
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c5)ccc(c5)C(C4)Oc(c3C4=O)cc(cc3O)O)C(C(O)2)O)C(C(O)C(O)1)O
M END
