Mol:FL5FAAGS0029
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3220 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3220 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6208 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0803 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0803 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0803 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0803 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6208 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7814 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7814 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4825 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4825 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4825 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4825 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7814 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7814 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7814 -1.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7814 -1.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1834 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1834 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8980 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8980 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6124 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6124 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6124 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6124 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8980 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8980 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1834 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1834 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6208 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6208 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0228 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0228 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3269 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3269 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3266 -0.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3266 -0.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1033 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1033 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8950 -2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8950 -2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6438 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6438 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8950 -1.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8950 -1.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1033 -0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1033 -0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3544 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3544 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2854 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2854 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2462 -3.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2462 -3.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7039 -3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7039 -3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1587 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1587 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6800 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6800 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8883 0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8883 0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1395 1.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1395 1.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8883 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8883 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6800 2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6800 2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4289 2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4289 2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2973 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2973 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8663 3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8663 3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0778 2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0778 2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3269 1.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3269 1.1963 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 |
− | 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 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
− | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
− | 33 19 1 0 0 0 0 | + | 33 19 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGS0029 | + | ID FL5FAAGS0029 |
− | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
− | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
− | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
− | SMILES c(c24)(O)cc(cc2OC(=C(OC(C(O)5)OC(C)C(C5O)O)C4=O)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O | + | SMILES c(c24)(O)cc(cc2OC(=C(OC(C(O)5)OC(C)C(C5O)O)C4=O)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.3220 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0803 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0803 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 -1.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3269 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3266 -0.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -1.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2462 -3.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7039 -3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1395 1.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8663 3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3269 1.1963 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 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 19 1 0 0 0 0 S SKP 5 ID FL5FAAGS0029 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES c(c24)(O)cc(cc2OC(=C(OC(C(O)5)OC(C)C(C5O)O)C4=O)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O M END