Mol:FL3FAECS0008
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 |
| − | 1.3677 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3677 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6532 1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6532 1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0612 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0612 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6532 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6532 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3677 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3677 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7757 1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7757 1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7757 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7757 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1359 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1359 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7757 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7757 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6532 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6532 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1495 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1495 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8639 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8639 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5784 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5784 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5784 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5784 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8639 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8639 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1495 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1495 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1936 2.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1936 2.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2326 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2326 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8578 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8578 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2096 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2096 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7248 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7248 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9529 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9529 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1404 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1404 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6251 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6251 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3971 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3971 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9336 0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9336 0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8578 0.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8578 0.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4848 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4848 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2956 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2956 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2692 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2692 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8929 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8929 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3055 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3055 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5120 -1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5120 -1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7137 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7137 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0945 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0945 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 -2.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 -2.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9249 -2.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9249 -2.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7811 -1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7811 -1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6686 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6686 -1.3873 0.0000 C 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 9 1 0 0 0 0 | + | 26 9 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 2 0 0 0 0 | + | 24 31 2 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 33 37 1 1 0 0 0 | + | 33 37 1 1 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAECS0008 | + | ID FL3FAECS0008 |
| − | FORMULA C28H30O14 | + | FORMULA C28H30O14 |
| − | EXACTMASS 590.163555668 | + | EXACTMASS 590.163555668 |
| − | AVERAGEMASS 590.5294 | + | AVERAGEMASS 590.5294 |
| − | SMILES C(C(=O)4)(OC(C5O)OC(C)C(C(O)5)O)C(OC(C)C4O)c(c(O)3)c(O)cc(c32)OC(=CC(=O)2)c(c1)ccc(c1O)OC | + | SMILES C(C(=O)4)(OC(C5O)OC(C)C(C(O)5)O)C(OC(C)C4O)c(c(O)3)c(O)cc(c32)OC(=CC(=O)2)c(c1)ccc(c1O)OC |
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
1.3677 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3677 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 -0.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1359 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 -1.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8639 1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5784 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8639 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1936 2.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2326 1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8578 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2096 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7248 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 0.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3971 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9336 0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8578 0.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4848 -0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2956 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2692 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8929 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3055 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5120 -1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7137 -2.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0945 -1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -2.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9249 -2.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7811 -1.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6686 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
20 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
26 9 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 2 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 34 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
34 42 1 0 0 0 0
33 37 1 1 0 0 0
33 38 1 0 0 0 0
S SKP 5
ID FL3FAECS0008
FORMULA C28H30O14
EXACTMASS 590.163555668
AVERAGEMASS 590.5294
SMILES C(C(=O)4)(OC(C5O)OC(C)C(C(O)5)O)C(OC(C)C4O)c(c(O)3)c(O)cc(c32)OC(=CC(=O)2)c(c1)ccc(c1O)OC
M END
