Mol:FL5FADGS0022
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 |
| − | 1.7862 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1447 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1447 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 2.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 2.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 3.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 3.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5104 4.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5104 4.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1444 -3.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1444 -3.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4269 -4.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4269 -4.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4968 -3.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4968 -3.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2372 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2372 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3083 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3083 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3520 -3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3520 -3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1697 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1697 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3494 -2.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3494 -2.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9568 -3.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9568 -3.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0818 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0818 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2836 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2836 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1295 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1295 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8490 -1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8490 -1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0507 -0.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0507 -0.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3624 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3624 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9272 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9272 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5829 -1.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 -1.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0818 -1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0818 -1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0572 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0572 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1760 -1.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1760 -1.6112 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 30 24 1 1 0 0 0 | + | 30 24 1 1 0 0 0 |
| − | 29 24 1 1 0 0 0 | + | 29 24 1 1 0 0 0 |
| − | 28 30 1 1 0 0 0 | + | 28 30 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 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 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | 28 43 1 0 0 0 0 | + | 28 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0022 | + | ID FL5FADGS0022 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(c5O)c(c(C2=O)c(c5)OC(=C(OC(O4)C(C(O)C(C(CO)4)O)OC(C(O)3)OCC3(O)CO)2)c(c1)ccc(c1OC)O)O | + | SMILES c(c5O)c(c(C2=O)c(c5)OC(=C(OC(O4)C(C(O)C(C(CO)4)O)OC(C(O)3)OCC3(O)CO)2)c(c1)ccc(c1OC)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/
43 47 0 0 0 0 0 0 0 0999 V2000
1.7862 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 1.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1447 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 2.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5104 4.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1444 -3.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4269 -4.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4968 -3.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2372 -3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3083 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1697 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3494 -2.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9568 -3.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0818 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2836 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1295 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8490 -1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0507 -0.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3624 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9272 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 -1.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0818 -1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1760 -1.6112 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
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
30 24 1 1 0 0 0
29 24 1 1 0 0 0
28 30 1 1 0 0 0
24 25 1 0 0 0 0
30 26 1 0 0 0 0
31 28 1 0 0 0 0
27 32 1 0 0 0 0
29 31 1 0 0 0 0
24 27 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 19 1 0 0 0 0
28 43 1 0 0 0 0
S SKP 5
ID FL5FADGS0022
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(c(C2=O)c(c5)OC(=C(OC(O4)C(C(O)C(C(CO)4)O)OC(C(O)3)OCC3(O)CO)2)c(c1)ccc(c1OC)O)O
M END
