Mol:FL2FAAGS0006
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 |
| − | -1.4265 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4265 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4265 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4265 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7119 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7119 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0026 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0026 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0026 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0026 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7119 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7119 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7171 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7171 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7171 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7171 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1460 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1460 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8742 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8742 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6025 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6025 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6025 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6025 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8742 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8742 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1460 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1460 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7171 -0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7171 -0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1410 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1410 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3307 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3307 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7119 -0.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7119 -0.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1558 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1558 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7111 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7111 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0707 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0707 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4031 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4031 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9018 -0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9018 -0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5559 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5559 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7120 -0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7120 -0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3030 -1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3030 -1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4342 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4342 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7140 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7140 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0483 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0483 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4053 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4053 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7585 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7585 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4240 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4240 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0670 -2.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0670 -2.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3986 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3986 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4730 -2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4730 -2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8080 -2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8080 -2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7361 -3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7361 -3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0645 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0645 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3307 -0.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3307 -0.0065 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 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 45 0.5085 -0.4362 | + | M SBV 1 45 0.5085 -0.4362 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0006 | + | ID FL2FAAGS0006 |
| − | FORMULA C27H32O14 | + | FORMULA C27H32O14 |
| − | EXACTMASS 580.179205732 | + | EXACTMASS 580.179205732 |
| − | AVERAGEMASS 580.53458 | + | AVERAGEMASS 580.53458 |
| − | SMILES c(c3)(cc(c1c3OC(C4OC(C5O)OC(C)C(C5O)O)OC(C(C4O)O)CO)OC(c(c2)ccc(c2)O)CC1=O)O | + | SMILES c(c3)(cc(c1c3OC(C4OC(C5O)OC(C)C(C5O)O)OC(C(C4O)O)CO)OC(c(c2)ccc(c2)O)CC1=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/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4265 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4265 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7171 -0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 1.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3307 3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 -0.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1558 -0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0707 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9018 -0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7120 -0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3030 -1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4342 -1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4053 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7585 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0670 -2.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 -2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4730 -2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 -2.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7361 -3.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0645 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3307 -0.0065 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 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 29 1 0 0 0 0
24 20 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ CH2OH
M SBV 1 45 0.5085 -0.4362
S SKP 5
ID FL2FAAGS0006
FORMULA C27H32O14
EXACTMASS 580.179205732
AVERAGEMASS 580.53458
SMILES c(c3)(cc(c1c3OC(C4OC(C5O)OC(C)C(C5O)O)OC(C(C4O)O)CO)OC(c(c2)ccc(c2)O)CC1=O)O
M END
