Mol:FL3FEGGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8370 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8370 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8370 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8370 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5515 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5515 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2660 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2660 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2660 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2660 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5515 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5515 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1226 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1226 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6936 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6936 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6936 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6936 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1226 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1226 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0209 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0209 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7353 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7353 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7353 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7353 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0209 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0209 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4081 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4081 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4498 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4498 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0209 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0209 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7978 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7978 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5515 2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5515 2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8790 0.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8790 0.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4011 -0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4011 -0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1597 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1597 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1343 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1343 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4559 0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4559 0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0518 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0518 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3414 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3414 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1383 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1383 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7140 -1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7140 -1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7096 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7096 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9126 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9126 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3368 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3368 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6175 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6175 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1288 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1288 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4559 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4559 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3304 -2.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3304 -2.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8413 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8413 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1851 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1851 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5294 -2.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5294 -2.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7101 -2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7101 -2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3662 -1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3662 -1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0220 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0220 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6435 -1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6435 -1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3165 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3165 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2918 -2.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2918 -2.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8275 -2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8275 -2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6708 -2.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6708 -2.5673 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 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 18 27 1 0 0 0 0 | + | 18 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 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 |
| − | 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 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
| − | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
| − | 41 19 1 0 0 0 0 | + | 41 19 1 0 0 0 0 |
| − | 45 32 1 0 0 0 0 | + | 45 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEGGS0005 | + | ID FL3FEGGS0005 |
| − | FORMULA C31H38O17 | + | FORMULA C31H38O17 |
| − | EXACTMASS 682.21089979 | + | EXACTMASS 682.21089979 |
| − | AVERAGEMASS 682.62322 | + | AVERAGEMASS 682.62322 |
| − | SMILES COc(c1)c(O)c(cc1C(=C5)Oc(c2C(=O)5)cc(c(c2OC(O3)C(O)C(O)C(C3COC(C4O)OC(C(C(O)4)O)C)O)OC)OC)OC | + | SMILES COc(c1)c(O)c(cc1C(=C5)Oc(c2C(=O)5)cc(c(c2OC(O3)C(O)C(O)C(C3COC(C4O)OC(C(C(O)4)O)C)O)OC)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
2.8370 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2660 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1226 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1226 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7353 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7353 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4498 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0209 -1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7978 1.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8790 0.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4011 -0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1597 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1343 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4559 0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0518 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3414 -0.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1383 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7140 -1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7096 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9126 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3368 -1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6175 -0.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1288 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4559 -1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3304 -2.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 -2.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 -2.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 -2.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7101 -2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3662 -1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 -1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3165 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2918 -2.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8275 -2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6708 -2.5673 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
21 24 1 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
18 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 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
43 44 1 0 0 0 0
44 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 48 1 0 0 0 0
41 19 1 0 0 0 0
45 32 1 0 0 0 0
S SKP 5
ID FL3FEGGS0005
FORMULA C31H38O17
EXACTMASS 682.21089979
AVERAGEMASS 682.62322
SMILES COc(c1)c(O)c(cc1C(=C5)Oc(c2C(=O)5)cc(c(c2OC(O3)C(O)C(O)C(C3COC(C4O)OC(C(C(O)4)O)C)O)OC)OC)OC
M END
