Mol:FL3FAADS0004
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 |
− | -4.2122 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2122 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2122 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2122 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4977 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4977 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7833 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7833 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7833 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7833 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4977 -0.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4977 -0.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0688 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0688 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3544 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3544 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3544 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3544 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0688 -0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0688 -0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0688 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0688 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9264 -0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9264 -0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5607 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5607 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1922 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1922 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9451 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9451 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9451 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9451 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1922 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1922 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5607 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5607 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6974 0.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6974 0.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3534 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3534 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1312 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1312 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8012 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8012 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7924 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7924 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1974 0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1974 0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5892 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5892 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7150 3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7150 3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1312 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1312 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1681 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1681 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4977 -3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4977 -3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9023 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9023 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5578 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5578 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2202 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2202 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8868 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8868 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2313 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2313 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5688 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5688 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3204 1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3204 1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9793 1.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9793 1.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9264 0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9264 0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5094 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5094 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4821 -0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4821 -0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1890 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1890 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2713 1.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2713 1.3535 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 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 31 19 1 0 0 0 0 | + | 31 19 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 44 -0.6227 0.0000 | + | M SBV 1 44 -0.6227 0.0000 |
− | 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 -0.4003 -0.4003 | + | M SBV 2 46 -0.4003 -0.4003 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAADS0004 | + | ID FL3FAADS0004 |
− | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
− | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
− | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
− | SMILES c(c5)(ccc(c5)OC(O4)C(O)C(O)C(O)C4CO)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O | + | SMILES c(c5)(ccc(c5)OC(O4)C(O)C(O)C(O)C4CO)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O |
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 -4.2122 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 -0.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -0.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 0.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1974 0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5892 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 2.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1681 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 -3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 1.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 1.3535 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 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 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 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 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 31 19 1 0 0 0 0 39 40 1 0 0 0 0 33 39 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.6227 0.0000 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 -0.4003 -0.4003 S SKP 5 ID FL3FAADS0004 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c5)(ccc(c5)OC(O4)C(O)C(O)C(O)C4CO)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O M END