Mol:FL5FECGS0065
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.0384 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0384 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3239 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3239 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3239 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3239 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0384 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0384 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7527 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7527 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7527 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7527 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6094 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6094 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8950 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8950 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1806 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1806 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1806 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1806 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8950 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8950 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6094 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6094 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4661 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4661 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4661 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4661 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8950 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8950 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9628 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9628 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3239 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3239 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4661 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4661 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4672 2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4672 2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0384 3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0384 3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9094 -0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9094 -0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6108 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6108 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9476 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9476 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3085 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3085 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6763 -2.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6763 -2.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9976 -2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9976 -2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1745 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1745 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8066 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8066 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4853 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4853 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0380 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0380 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6221 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6221 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7182 -2.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7182 -2.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1851 -3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1851 -3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3198 -2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3198 -2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5569 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5569 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9695 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9695 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1760 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1760 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3777 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3777 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9650 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9650 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7586 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7586 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5348 -0.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5348 -0.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4672 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4672 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6210 -2.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6210 -2.5645 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 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 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 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 40 33 1 0 0 0 0 | + | 40 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0065 | + | ID FL5FECGS0065 |
| − | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
| − | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
| − | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
| − | SMILES c(c(OC)3)(OC(C(O)5)OC(C(C(O)5)O)COC(O4)C(O)C(O)C(C4)O)c(C1=O)c(cc3O)OC(c(c2)cc(O)c(c2)O)=C1OC | + | SMILES c(c(OC)3)(OC(C(O)5)OC(C(C(O)5)O)COC(O4)C(O)C(O)C(C4)O)c(C1=O)c(cc3O)OC(c(c2)cc(O)c(c2)O)=C1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
4.0384 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7527 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7527 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6094 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6094 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9628 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4672 2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0384 3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9094 -0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6108 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3085 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6763 -2.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9976 -2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1745 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8066 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4853 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0380 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7182 -2.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 -3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 -2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5569 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9695 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1760 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3777 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9650 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7586 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5348 -0.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4672 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6210 -2.5645 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
15 23 1 0 0 0 0
23 24 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 20 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
39 45 1 0 0 0 0
40 33 1 0 0 0 0
S SKP 5
ID FL5FECGS0065
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES c(c(OC)3)(OC(C(O)5)OC(C(C(O)5)O)COC(O4)C(O)C(O)C(C4)O)c(C1=O)c(cc3O)OC(c(c2)cc(O)c(c2)O)=C1OC
M END
