Mol:FL5FAEGA0003
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | 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 |
− | -3.4406 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4406 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4406 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4406 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7396 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7396 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0385 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0385 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0385 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0385 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7396 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7396 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3375 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3375 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6365 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6365 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3375 1.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3375 1.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3375 -0.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3375 -0.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0643 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0643 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7788 1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7788 1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4933 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4933 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4933 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4933 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7788 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7788 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0643 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0643 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7396 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7396 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3740 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3740 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8854 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8854 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8249 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8249 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7700 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7700 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1413 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1413 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3191 -2.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3191 -2.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6331 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6331 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3479 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3479 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8594 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8594 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7989 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7989 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7438 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7438 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2325 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2325 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2931 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2931 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1644 -0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1644 -0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6829 0.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6829 0.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0986 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0986 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5997 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5997 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0613 -1.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0613 -1.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2763 -2.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2763 -2.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3760 -3.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3760 -3.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8332 -3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8332 -3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5887 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5887 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1413 1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1413 1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7788 3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7788 3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2075 2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2075 2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1079 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1079 2.1548 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 |
− | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 15 43 1 0 0 0 0 | + | 15 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 -0.7143 -0.4124 | + | M SBV 1 48 -0.7143 -0.4124 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAEGA0003 | + | ID FL5FAEGA0003 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES C(O1)(c(c5)ccc(c(O)5)OC)=C(OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)C(=O)c(c2O)c1cc(O)c2 | + | SMILES C(O1)(c(c5)ccc(c(O)5)OC)=C(OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)C(=O)c(c2O)c1cc(O)c2 |
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 -3.4406 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 1.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -0.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 -2.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7438 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1644 -0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 0.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5997 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0613 -1.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -2.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -3.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 -3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7788 3.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 2.1548 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 16 42 1 0 0 0 0 43 44 1 0 0 0 0 15 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 -0.7143 -0.4124 S SKP 5 ID FL5FAEGA0003 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES C(O1)(c(c5)ccc(c(O)5)OC)=C(OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)C(=O)c(c2O)c1cc(O)c2 M END