Mol:FL2FAAGS0018
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
− | -5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0551 -1.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0551 -1.0155 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 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 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL2FAAGS0018 | + | ID FL2FAAGS0018 |
− | FORMULA C26H30O14 | + | FORMULA C26H30O14 |
− | EXACTMASS 566.163555668 | + | EXACTMASS 566.163555668 |
− | AVERAGEMASS 566.508 | + | AVERAGEMASS 566.508 |
− | SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)O | + | SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)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/ 40 44 0 0 0 0 0 0 0 0999 V2000 -5.3328 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3328 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6183 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6183 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6183 -1.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5395 0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 0.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -0.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -1.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 -0.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0551 -1.0155 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 1 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 19 22 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 29 32 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 33 40 1 0 0 0 0 S SKP 5 ID FL2FAAGS0018 FORMULA C26H30O14 EXACTMASS 566.163555668 AVERAGEMASS 566.508 SMILES c(c3)(ccc(OC(C(O)4)OC(C(OC(C(O)5)OCC(O)C5O)C4O)CO)c3)C(C2)Oc(c1C2=O)cc(cc1O)O M END