Mol:FL3FEAGS0010
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 |
| − | -0.8176 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8176 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8176 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8176 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5843 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5843 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5843 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5843 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2854 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2854 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9864 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9864 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9864 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9864 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2854 -0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2854 -0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2854 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2854 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6871 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6871 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4016 -0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4016 -0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1160 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1160 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1160 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1160 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4016 0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4016 0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6871 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6871 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5183 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5183 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8302 0.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8302 0.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5171 -2.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5171 -2.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5378 2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5378 2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2783 1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2783 1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9641 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9641 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9557 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9557 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3893 0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3893 0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6855 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6855 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8999 2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8999 2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3400 2.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3400 2.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5540 0.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5540 0.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2759 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2759 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1868 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1868 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8546 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8546 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1868 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1868 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4230 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4230 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6652 0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6652 0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6106 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6106 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9846 2.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9846 2.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2772 2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2772 2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8302 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8302 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1095 2.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1095 2.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 1.7449 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 27 41 1 0 0 0 0 | + | 27 41 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 46 -0.5760 -0.7437 | + | M SBV 1 46 -0.5760 -0.7437 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0010 | + | ID FL3FEAGS0010 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C(O)1)(C(OC(C5O)C(OC(C(O)5)CO)Oc(c4)c(O)c(c(c34)C(C=C(O3)c(c2)ccc(c2)O)=O)O)OC(C)C1O)O | + | SMILES C(C(O)1)(C(OC(C5O)C(OC(C(O)5)CO)Oc(c4)c(O)c(c(c34)C(C=C(O3)c(c2)ccc(c2)O)=O)O)OC(C)C1O)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
-0.8176 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8176 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 -2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 -0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4016 -0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4016 0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5183 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8302 0.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5171 -2.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5378 2.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2783 1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9641 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9557 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3893 0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6855 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8999 2.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 2.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5540 0.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2759 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1868 2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8546 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1868 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4230 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6652 0.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6106 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9846 2.7724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8302 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 2.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 1.7449 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
35 30 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
31 39 1 0 0 0 0
34 40 1 0 0 0 0
25 18 1 0 0 0 0
41 42 1 0 0 0 0
27 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.5760 -0.7437
S SKP 5
ID FL3FEAGS0010
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C(O)1)(C(OC(C5O)C(OC(C(O)5)CO)Oc(c4)c(O)c(c(c34)C(C=C(O3)c(c2)ccc(c2)O)=O)O)OC(C)C1O)O
M END
