Mol:FL3FEGGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7434 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7434 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7434 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7434 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4580 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4580 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1724 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1724 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1724 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1724 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4580 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4580 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0289 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0289 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3145 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3145 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6000 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6000 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6000 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6000 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3145 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3145 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0289 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0289 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8855 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8855 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1709 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1709 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1709 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1709 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8855 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8855 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3145 -2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3145 -2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5435 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5435 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8855 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8855 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7043 1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7043 1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4580 1.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4580 1.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7855 -0.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7855 -0.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4949 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4949 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4204 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4204 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0662 2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0662 2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2280 -1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2280 -1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2943 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2943 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8818 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8818 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0836 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0836 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2904 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2904 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7028 0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7028 0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5010 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5010 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1282 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1282 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3192 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3192 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7965 0.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7965 0.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4733 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4733 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5266 -0.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5266 -0.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1612 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1612 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7487 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7487 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9506 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9506 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1574 1.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1574 1.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5698 1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5698 1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3680 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3680 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9993 2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9993 2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4466 0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4466 0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4204 1.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4204 1.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 30 18 1 0 0 0 0 | + | 30 18 1 0 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 40 45 1 0 0 0 0 | + | 40 45 1 0 0 0 0 |
| − | 39 46 1 0 0 0 0 | + | 39 46 1 0 0 0 0 |
| − | 41 34 1 0 0 0 0 | + | 41 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEGGS0003 | + | ID FL3FEGGS0003 |
| − | FORMULA C29H34O17 | + | FORMULA C29H34O17 |
| − | EXACTMASS 654.179599662 | + | EXACTMASS 654.179599662 |
| − | AVERAGEMASS 654.57006 | + | AVERAGEMASS 654.57006 |
| − | SMILES O(C)c(c3OC(O4)C(C(C(O)C4COC(O5)C(O)C(O)C(C5)O)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)cc(OC)c(c(OC)1)O)O | + | SMILES O(C)c(c3OC(O4)C(C(C(O)C4COC(O5)C(O)C(O)C(C5)O)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)cc(OC)c(c(OC)1)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/
46 50 0 0 0 0 0 0 0 0999 V2000
3.7434 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7434 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4580 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1724 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1724 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4580 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3145 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6000 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3145 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0289 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 -0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3145 -2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -0.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 -2.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7043 1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4580 1.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7855 -0.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4949 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4204 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0662 2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2280 -1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8818 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2904 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7028 0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5010 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3192 1.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7965 0.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4733 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 -0.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1612 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7487 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9506 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1574 1.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5698 1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3680 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9993 2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4466 0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4204 1.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
22 24 1 0 0 0 0
21 25 1 0 0 0 0
23 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
30 18 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
38 44 1 0 0 0 0
40 45 1 0 0 0 0
39 46 1 0 0 0 0
41 34 1 0 0 0 0
S SKP 5
ID FL3FEGGS0003
FORMULA C29H34O17
EXACTMASS 654.179599662
AVERAGEMASS 654.57006
SMILES O(C)c(c3OC(O4)C(C(C(O)C4COC(O5)C(O)C(O)C(C5)O)O)O)c(c(c2c3)C(=O)C=C(O2)c(c1)cc(OC)c(c(OC)1)O)O
M END
