Mol:FL5FAAGS0123
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3397 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3397 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3397 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3397 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0541 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0541 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7686 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7686 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7686 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7686 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0541 3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0541 3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6252 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6252 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1963 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1963 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1963 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1963 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6252 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6252 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5182 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5182 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2327 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2327 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2327 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2327 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5182 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5182 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9472 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9472 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2315 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2315 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3693 3.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3693 3.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5182 -0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5182 -0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5056 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5056 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9181 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9181 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1249 0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1249 0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3268 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3268 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9142 1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9142 1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7075 0.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7075 0.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2983 -0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2983 -0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5171 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5171 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3693 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3693 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1175 0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1175 0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2418 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2418 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1798 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1798 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7964 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7964 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6062 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6062 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6683 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6683 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0517 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0517 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9654 -1.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9654 -1.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6066 -2.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6066 -2.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6603 -1.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6603 -1.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7615 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7615 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7582 -1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7582 -1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2741 -2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2741 -2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1161 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1161 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6066 -2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6066 -2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8921 -3.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8921 -3.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3211 -3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3211 -3.1372 0.0000 C 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 |
| − | 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0123 | + | ID FL5FAAGS0123 |
| − | FORMULA C31H34O16 | + | FORMULA C31H34O16 |
| − | EXACTMASS 662.18468504 | + | EXACTMASS 662.18468504 |
| − | AVERAGEMASS 662.5920600000001 | + | AVERAGEMASS 662.5920600000001 |
| − | SMILES c(c(OC(C5O)OC(C)C(C(O)5)O)4)c(O2)c(c(O)c4)C(C(=C2c(c3)ccc(c3)O)OC(C(OC(C)=O)1)OC(C(O)C1OC(C)=O)C)=O | + | SMILES c(c(OC(C5O)OC(C)C(C(O)5)O)4)c(O2)c(c(O)c4)C(C(=C2c(c3)ccc(c3)O)OC(C(OC(C)=O)1)OC(C(O)C1OC(C)=O)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
2.3397 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3397 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0541 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7686 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7686 2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0541 3.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1963 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1963 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2327 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2327 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9472 1.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2315 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3693 3.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 -0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5056 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9181 0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1249 0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9142 1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7075 0.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2983 -0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5171 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3693 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1175 0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2418 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1798 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7964 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6062 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0517 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9654 -1.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6066 -2.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 -1.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7582 -1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2741 -2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1161 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6066 -2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 -3.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3211 -3.1372 0.0000 C 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
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 19 1 0 0 0 0
26 18 1 0 0 0 0
38 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
S SKP 5
ID FL5FAAGS0123
FORMULA C31H34O16
EXACTMASS 662.18468504
AVERAGEMASS 662.5920600000001
SMILES c(c(OC(C5O)OC(C)C(C(O)5)O)4)c(O2)c(c(O)c4)C(C(=C2c(c3)ccc(c3)O)OC(C(OC(C)=O)1)OC(C(O)C1OC(C)=O)C)=O
M END
