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 | ||
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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