Mol:FL7AAAGA0008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0985 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0985 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0985 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0985 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3841 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3841 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6697 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6697 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6697 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6697 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3841 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3841 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0448 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0448 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7593 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7593 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7593 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7593 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0448 2.3455 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.0448 2.3455 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 1.5357 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5357 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2502 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2502 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9647 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9647 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9647 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9647 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2502 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2502 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5357 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5357 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6049 3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6049 3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4033 0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4033 0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6785 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6785 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4033 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4033 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8146 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8146 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0340 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0340 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4304 -0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4304 -0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1777 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1777 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3970 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3970 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0675 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6243 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6243 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4444 -0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4444 -0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7777 -0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7777 -0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6647 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6647 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7216 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7216 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1584 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1584 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3417 -3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3417 -3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0113 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0113 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6584 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6584 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1582 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1582 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4888 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4888 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8019 -2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8019 -2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6865 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6865 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2711 -3.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2711 -3.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1759 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1759 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8904 -0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8904 -0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1759 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1759 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8904 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8904 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6049 -1.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6049 -1.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8904 -2.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8904 -2.6616 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 18 1 0 0 0 0 | + | 24 18 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 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
− | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
− | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
− | 28 41 1 0 0 0 0 | + | 28 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAAGA0008 | + | ID FL7AAAGA0008 |
− | FORMULA C29H31O17 | + | FORMULA C29H31O17 |
− | EXACTMASS 651.156124566 | + | EXACTMASS 651.156124566 |
− | AVERAGEMASS 651.54624 | + | AVERAGEMASS 651.54624 |
− | SMILES OC(C5O)C(O)C(OC5)OC(C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)ccc(O)c2)1)C(C(O)C(O1)COC(CC(O)=O)=O)O | + | SMILES OC(C5O)C(O)C(OC5)OC(C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)ccc(O)c2)1)C(C(O)C(O1)COC(CC(O)=O)=O)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/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.0985 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 2.3455 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5357 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 -0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 -0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8019 -2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 -3.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6049 -1.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -2.6616 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 18 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 34 38 1 0 0 0 0 33 39 1 0 0 0 0 32 40 1 0 0 0 0 35 31 1 0 0 0 0 28 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAAGA0008 FORMULA C29H31O17 EXACTMASS 651.156124566 AVERAGEMASS 651.54624 SMILES OC(C5O)C(O)C(OC5)OC(C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)ccc(O)c2)1)C(C(O)C(O1)COC(CC(O)=O)=O)O M END