Mol:FL3FACCS0028
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 |
| − | -0.3742 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3742 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3742 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3742 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0547 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0547 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0547 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0547 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7692 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7692 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4836 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4836 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4836 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4836 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7692 0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7692 0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7692 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7692 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3568 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3568 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1097 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1097 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8626 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8626 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8626 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8626 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1097 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1097 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3568 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3568 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4331 2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4331 2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2410 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2410 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5787 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5787 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9165 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9165 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0160 -1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0160 -1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6517 -0.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6517 -0.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3668 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3668 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8762 -0.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8762 -0.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4230 -1.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4230 -1.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1092 0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1092 0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1878 -1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1878 -1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8538 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8538 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6150 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6150 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0053 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0053 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3308 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3308 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5448 0.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5448 0.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3308 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3308 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0053 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0053 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7914 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7914 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7386 1.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7386 1.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3308 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3308 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3554 1.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3554 1.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6150 -0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6150 -0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5611 -0.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5611 -0.2590 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 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 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 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 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 42 30 1 0 0 0 0 | + | 42 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0028 | + | ID FL3FACCS0028 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES O(C=1c(c5)ccc(c5O)O)c(c2)c(c(c(C(O3)C(C(O)C(O)C(COC(O4)C(C(O)C(O)C4C)O)3)O)c2O)O)C(C1)=O | + | SMILES O(C=1c(c5)ccc(c5O)O)c(c2)c(c(c(C(O3)C(C(O)C(O)C(COC(O4)C(C(O)C(O)C4C)O)3)O)c2O)O)C(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
-0.3742 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3742 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0547 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0547 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -0.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3568 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8626 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8626 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1097 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3568 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4331 2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2410 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5787 -1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9165 -0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0160 -1.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -0.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3668 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8762 -0.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4230 -1.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1092 0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 -1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6150 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 -0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 -0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5448 0.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7914 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7386 1.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3308 1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3554 1.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6150 -0.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5611 -0.2590 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
25 30 1 0 0 0 0
15 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
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 42 1 0 0 0 0
42 30 1 0 0 0 0
S SKP 5
ID FL3FACCS0028
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C=1c(c5)ccc(c5O)O)c(c2)c(c(c(C(O3)C(C(O)C(O)C(COC(O4)C(C(O)C(O)C4C)O)3)O)c2O)O)C(C1)=O
M END
