Mol:FL4DACGS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9684 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9684 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL4DACGS0003 | + | ID FL4DACGS0003 |
− | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
− | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
− | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
− | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)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/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.3504 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9684 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4761 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5126 -1.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -1.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 6 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 19 1 0 0 0 0 S SKP 5 ID FL4DACGS0003 FORMULA C20H20O11 EXACTMASS 436.100561482 AVERAGEMASS 436.3662 SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O M END