Mol:FL4DACGS0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2523 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2523 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4623 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4623 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1769 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1769 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1769 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1769 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4623 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4623 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2523 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2523 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8914 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8914 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6060 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6060 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6060 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6060 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8914 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8914 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8914 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8914 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4012 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4012 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1265 -0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1265 -0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8520 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8520 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8520 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8520 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1265 1.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1265 1.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4012 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4012 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8706 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8706 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2484 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2484 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5773 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5773 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4623 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4623 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1265 2.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1265 2.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4990 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4990 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9940 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9940 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2666 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2666 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5649 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5649 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0748 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7111 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7111 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0954 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0954 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1161 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1161 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6536 -0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6536 -0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6202 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6202 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9726 0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9726 0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3906 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3906 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5256 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5256 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2711 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2711 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8531 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8531 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7183 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7183 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6005 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6005 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4555 2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4555 2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1810 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1810 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2553 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2553 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5773 0.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5773 0.6229 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 |
| − | 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 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 39 29 1 0 0 0 0 | + | 39 29 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 33 43 1 0 0 0 0 | + | 33 43 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0026 | + | ID FL4DACGS0026 |
| − | FORMULA C27H32O16 | + | FORMULA C27H32O16 |
| − | EXACTMASS 612.1690349759999 | + | EXACTMASS 612.1690349759999 |
| − | AVERAGEMASS 612.53338 | + | AVERAGEMASS 612.53338 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(C(Oc(c3)cc(O)c(C4=O)c3OC(c(c5)ccc(c5O)O)C4O)2)O)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(C(Oc(c3)cc(O)c(C4=O)c3OC(c(c5)ccc(c5O)O)C4O)2)O)O)C(C(O)C(O)1)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/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.2523 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4623 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4623 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2523 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8914 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4012 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1265 -0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8520 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8520 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1265 1.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4012 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8706 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 -2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5773 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4623 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1265 2.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4990 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9940 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2666 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5649 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 -0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1161 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6536 -0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6202 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9726 0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3906 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5256 0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2711 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8531 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7183 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6005 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4555 2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2553 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5773 0.6229 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 33 1 1 0 0 0
34 39 1 0 0 0 0
39 29 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
38 42 1 0 0 0 0
33 43 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 5
ID FL4DACGS0026
FORMULA C27H32O16
EXACTMASS 612.1690349759999
AVERAGEMASS 612.53338
SMILES O(C1C)C(OCC(O2)C(O)C(C(C(Oc(c3)cc(O)c(C4=O)c3OC(c(c5)ccc(c5O)O)C4O)2)O)O)C(C(O)C(O)1)O
M END
