Mol:FL5FECGA0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | -3.4928 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4928 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4928 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4928 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7918 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0908 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0908 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0908 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0908 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7918 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3898 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3898 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6887 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6887 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6887 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6887 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3898 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3898 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3898 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3898 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0120 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0120 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7265 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7265 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4410 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4410 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4410 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4410 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7265 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7265 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0120 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0120 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7918 -1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 -1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2392 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2392 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7507 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7507 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6901 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6901 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6351 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6351 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1936 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1936 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1843 -1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1843 -1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4571 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4571 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1719 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1719 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6834 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6834 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6227 -0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 -0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5678 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5678 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0565 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0565 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1170 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1170 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0786 -0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0786 -0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5465 0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5465 0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0167 1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0167 1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2587 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2587 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9087 -0.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9087 -0.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1635 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1635 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1395 -2.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1395 -2.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6351 -3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6351 -3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3697 0.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3697 0.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1936 1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1936 1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1553 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1553 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7265 3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7265 3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1194 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1194 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2190 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2190 -0.8138 0.0000 C 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
− | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
− | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
− | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
− | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 2 44 1 0 0 0 0 | + | 2 44 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 44 45 | + | M SAL 1 2 44 45 |
− | M SBL 1 1 49 | + | M SBL 1 1 49 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 49 0.6266 0.3618 | + | M SBV 1 49 0.6266 0.3618 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FECGA0002 | + | ID FL5FECGA0002 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O | + | SMILES O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.4928 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3898 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 2.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -1.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 -1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 -0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 -0.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1635 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -2.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 -3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 0.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1936 1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 3.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -0.8138 0.0000 C 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 19 20 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 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 1 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 44 45 1 0 0 0 0 2 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 ^OCH3 M SBV 1 49 0.6266 0.3618 S SKP 5 ID FL5FECGA0002 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O M END