Mol:FL5FEAGA0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5797 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5797 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5797 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5797 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8787 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8787 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8787 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8787 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4767 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4767 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7756 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7756 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7756 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7756 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4767 1.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4767 1.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4767 -0.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4767 -0.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0749 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0749 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6396 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6396 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3540 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3540 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3540 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3540 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6396 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6396 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0749 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0749 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8787 -0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8787 -0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3674 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3674 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8789 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8789 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 -2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 -2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7634 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7634 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2805 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2805 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3125 -1.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3125 -1.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4602 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4602 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4562 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4562 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9678 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9678 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9071 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9071 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8522 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8522 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3408 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3408 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4013 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4013 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1889 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1889 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7483 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7483 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3145 1.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3145 1.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5637 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5637 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0768 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0768 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2697 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2697 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2883 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2883 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7854 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7854 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6356 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6356 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2805 1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2805 1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0684 3.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0684 3.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2225 0.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2225 0.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3222 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3222 -0.2257 0.0000 C 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 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 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 2 43 1 0 0 0 0 | + | 2 43 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 48 0.6428 0.3711 | + | M SBV 1 48 0.6428 0.3711 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGA0002 | + | ID FL5FEAGA0002 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES c(c1C(O2)=C(OC(O4)C(O)C(O)C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)C(c(c3O)c(cc(c(OC)3)O)2)=O)cc(O)cc1 | + | SMILES c(c1C(O2)=C(OC(O4)C(O)C(O)C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)C(c(c3O)c(cc(c(OC)3)O)2)=O)cc(O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.5797 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5797 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 0.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 1.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0749 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6396 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3540 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6396 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0749 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 -0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3674 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8789 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 -2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2805 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3125 -1.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9678 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8522 -0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3408 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4013 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1889 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 0.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3145 1.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5637 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0768 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2697 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2883 -2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6356 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2805 1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0684 3.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2225 0.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3222 -0.2257 0.0000 C 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
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 0 0 0 0
2 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^OCH3
M SBV 1 48 0.6428 0.3711
S SKP 5
ID FL5FEAGA0002
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(c1C(O2)=C(OC(O4)C(O)C(O)C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)C(c(c3O)c(cc(c(OC)3)O)2)=O)cc(O)cc1
M END
