Mol:FL7AADGL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4668 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4668 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4668 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4668 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7524 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7524 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0379 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0379 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0379 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0379 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7524 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7524 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3234 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3234 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6090 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6090 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6090 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6090 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3234 1.0961 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.3234 1.0961 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1052 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1052 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8334 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8334 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5616 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5616 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5616 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5616 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8334 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8334 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1052 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1052 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1810 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1810 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0977 2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0977 2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7524 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7524 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1314 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1314 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1234 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1234 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4854 -3.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4854 -3.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2985 -2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2985 -2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4960 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4960 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1426 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1426 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0726 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0726 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3558 -4.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3558 -4.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7535 -3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7535 -3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3249 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3249 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9487 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9487 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7151 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7151 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5971 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5971 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9735 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9735 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2070 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2070 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4588 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4588 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2781 -1.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2781 -1.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1810 -0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1810 -0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3740 -1.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3740 -1.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8275 3.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8275 3.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3944 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3944 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1428 -3.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1428 -3.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4206 -3.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4206 -3.8127 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 15 39 1 0 0 0 0 | + | 15 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 21 41 1 0 0 0 0 | + | 21 41 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 44 0.0059 -0.6973 | + | M SBV 1 44 0.0059 -0.6973 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 46 0.0195 0.7687 | + | M SBV 2 46 0.0195 0.7687 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGL0003 | + | ID FL7AADGL0003 |
| − | FORMULA C27H31O15 | + | FORMULA C27H31O15 |
| − | EXACTMASS 595.166295322 | + | EXACTMASS 595.166295322 |
| − | AVERAGEMASS 595.52604 | + | AVERAGEMASS 595.52604 |
| − | SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O | + | SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.4668 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0379 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0379 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6090 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6090 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 1.0961 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1052 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1052 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4854 -3.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1426 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0726 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3558 -4.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7535 -3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3249 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9487 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7151 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5971 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9735 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4588 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2781 -1.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1810 -0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 -1.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8275 3.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1428 -3.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4206 -3.8127 0.0000 O 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
25 20 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
24 35 1 0 0 0 0
8 20 1 0 0 0 0
39 40 1 0 0 0 0
15 39 1 0 0 0 0
41 42 1 0 0 0 0
21 41 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 0.0059 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ CH2OH
M SBV 2 46 0.0195 0.7687
S SKP 5
ID FL7AADGL0003
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O
M END
