Mol:FL7AADGL0024
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 78 85 0 0 0 0 0 0 0 0999 V2000 | + | 78 85 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0324 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0324 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0324 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0324 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4761 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4761 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0803 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0803 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0803 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0803 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4761 3.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4761 3.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6366 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6366 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1929 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1929 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1929 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1929 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6366 3.0313 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.6366 3.0313 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7490 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7490 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3159 2.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3159 2.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8829 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8829 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8829 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8829 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3159 4.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3159 4.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7490 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7490 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5885 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5885 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7489 4.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7489 4.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4761 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4761 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6090 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6090 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0874 0.0329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0874 0.0329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.5804 0.4206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5804 0.4206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7900 -0.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7900 -0.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5369 -0.8755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5369 -0.8755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0874 -1.1934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0874 -1.1934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.9128 -0.5821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.9128 -0.5821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.2623 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2623 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4142 -0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4142 -0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3918 -2.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3918 -2.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0123 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0123 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9319 0.5352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.9319 0.5352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.2354 -0.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2354 -0.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8442 0.0644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8442 0.0644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3948 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.3948 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.0658 0.4434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.0658 0.4434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.5211 0.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5211 0.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6134 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6134 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0739 -0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0739 -0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3481 -0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3481 -0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3747 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3747 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6348 0.8302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.6348 0.8302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.2636 0.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2636 0.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7291 0.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7291 0.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2134 0.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2134 0.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5882 0.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5882 0.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0558 0.6817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.0558 0.6817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2257 0.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2257 0.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6140 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6140 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4229 0.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4229 0.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0368 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0368 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3645 -3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3645 -3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4699 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4699 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1459 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1459 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4810 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4810 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7935 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7935 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4185 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4185 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7309 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7309 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4185 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4185 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7935 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7935 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3552 -3.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3552 -3.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7306 -4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7306 -4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2642 -3.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -4.2642 -3.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.8930 -4.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.8930 -4.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.3585 -3.9069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.3585 -3.9069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8428 -3.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8428 -3.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.2175 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2175 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6852 -3.7733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.6852 -3.7733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.8551 -3.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8551 -3.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2433 -4.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2433 -4.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0523 -4.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0523 -4.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5993 4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5993 4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0407 5.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0407 5.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7720 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7720 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3533 1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3533 1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4014 -3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4014 -3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6808 -2.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6808 -2.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9247 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9247 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7977 0.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7977 0.4679 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 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 |
| − | 23 24 1 1 0 0 0 | + | 23 24 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 |
| − | 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 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 19 1 0 0 0 0 | + | 44 19 1 0 0 0 0 |
| − | 40 50 1 0 0 0 0 | + | 40 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 50 52 1 0 0 0 0 | + | 50 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 57 60 1 0 0 0 0 | + | 57 60 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 62 63 1 1 0 0 0 | + | 62 63 1 1 0 0 0 |
| − | 63 64 1 1 0 0 0 | + | 63 64 1 1 0 0 0 |
| − | 65 64 1 1 0 0 0 | + | 65 64 1 1 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 62 1 0 0 0 0 | + | 67 62 1 0 0 0 0 |
| − | 62 68 1 0 0 0 0 | + | 62 68 1 0 0 0 0 |
| − | 63 69 1 0 0 0 0 | + | 63 69 1 0 0 0 0 |
| − | 64 70 1 0 0 0 0 | + | 64 70 1 0 0 0 0 |
| − | 65 60 1 0 0 0 0 | + | 65 60 1 0 0 0 0 |
| − | 15 71 1 0 0 0 0 | + | 15 71 1 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 46 73 1 0 0 0 0 | + | 46 73 1 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 67 75 1 0 0 0 0 | + | 67 75 1 0 0 0 0 |
| − | 75 76 1 0 0 0 0 | + | 75 76 1 0 0 0 0 |
| − | 35 77 1 0 0 0 0 | + | 35 77 1 0 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 77 78 | + | M SAL 4 2 77 78 |
| − | M SBL 4 1 84 | + | M SBL 4 1 84 |
| − | M SMT 4 CH2OH | + | M SMT 4 CH2OH |
| − | M SVB 4 84 4.778 0.4643 | + | M SVB 4 84 4.778 0.4643 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 75 76 | + | M SAL 3 2 75 76 |
| − | M SBL 3 1 82 | + | M SBL 3 1 82 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 82 -4.0686 -2.9009 | + | M SVB 3 82 -4.0686 -2.9009 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 73 74 | + | M SAL 2 2 73 74 |
| − | M SBL 2 1 80 | + | M SBL 2 1 80 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 80 -2.4392 1.5541 | + | M SVB 2 80 -2.4392 1.5541 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 71 72 | + | M SAL 1 2 71 72 |
| − | M SBL 1 1 78 | + | M SBL 1 1 78 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 78 2.5993 4.5893 | + | M SVB 1 78 2.5993 4.5893 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AADGL0024 | + | ID FL7AADGL0024 |
| − | KNApSAcK_ID C00006872 | + | KNApSAcK_ID C00006872 |
| − | NAME Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside | + | NAME Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside |
| − | CAS_RN 135618-32-5 | + | CAS_RN 135618-32-5 |
| − | FORMULA C49H59O29 | + | FORMULA C49H59O29 |
| − | EXACTMASS 1111.314200926 | + | EXACTMASS 1111.314200926 |
| − | AVERAGEMASS 1111.9753600000001 | + | AVERAGEMASS 1111.9753600000001 |
| − | SMILES c([o+1]4)(c(O[C@H](O6)C(C([C@@H](O)[C@@H](COC(C=Cc(c8)ccc(c8O)O[C@@H]([C@H]7O)OC(CO)[C@@H]([C@@H]7O)O)=O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)cc(c42)c(O[C@@H]([C@@H](O)3)OC([C@H](O)[C@H](O)3)CO)cc(O)c2)c(c1)cc(OC)c(O)c1 | + | SMILES c([o+1]4)(c(O[C@H](O6)C(C([C@@H](O)[C@@H](COC(C=Cc(c8)ccc(c8O)O[C@@H]([C@H]7O)OC(CO)[C@@H]([C@@H]7O)O)=O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)cc(c42)c(O[C@@H]([C@@H](O)3)OC([C@H](O)[C@H](O)3)CO)cc(O)c2)c(c1)cc(OC)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
-1.0324 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0324 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4761 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4761 3.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1929 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1929 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 3.0313 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7490 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3159 2.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8829 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8829 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3159 4.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5885 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7489 4.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4761 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6090 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0874 0.0329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5804 0.4206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7900 -0.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5369 -0.8755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0874 -1.1934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9128 -0.5821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.2623 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4142 -0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3918 -2.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0123 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9319 0.5352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2354 -0.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8442 0.0644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3948 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0658 0.4434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5211 0.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6134 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0739 -0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3481 -0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3747 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6348 0.8302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2636 0.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7291 0.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2134 0.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5882 0.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 0.6817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2257 0.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6140 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4229 0.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0368 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3645 -3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4699 -2.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1459 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4810 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7935 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 -2.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7309 -3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7935 -4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3552 -3.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7306 -4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2642 -3.6248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8930 -4.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3585 -3.9069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8428 -3.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2175 -3.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6852 -3.7733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.8551 -3.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2433 -4.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0523 -4.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5993 4.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 5.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3533 1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4014 -3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6808 -2.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9247 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7977 0.4679 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 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
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
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
30 40 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 19 1 0 0 0 0
40 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 54 1 0 0 0 0
57 60 1 0 0 0 0
58 61 1 0 0 0 0
62 63 1 1 0 0 0
63 64 1 1 0 0 0
65 64 1 1 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 62 1 0 0 0 0
62 68 1 0 0 0 0
63 69 1 0 0 0 0
64 70 1 0 0 0 0
65 60 1 0 0 0 0
15 71 1 0 0 0 0
71 72 1 0 0 0 0
46 73 1 0 0 0 0
73 74 1 0 0 0 0
67 75 1 0 0 0 0
75 76 1 0 0 0 0
35 77 1 0 0 0 0
77 78 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 77 78
M SBL 4 1 84
M SMT 4 CH2OH
M SVB 4 84 4.778 0.4643
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 75 76
M SBL 3 1 82
M SMT 3 CH2OH
M SVB 3 82 -4.0686 -2.9009
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 73 74
M SBL 2 1 80
M SMT 2 CH2OH
M SVB 2 80 -2.4392 1.5541
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 71 72
M SBL 1 1 78
M SMT 1 OCH3
M SVB 1 78 2.5993 4.5893
S SKP 8
ID FL7AADGL0024
KNApSAcK_ID C00006872
NAME Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside
CAS_RN 135618-32-5
FORMULA C49H59O29
EXACTMASS 1111.314200926
AVERAGEMASS 1111.9753600000001
SMILES c([o+1]4)(c(O[C@H](O6)C(C([C@@H](O)[C@@H](COC(C=Cc(c8)ccc(c8O)O[C@@H]([C@H]7O)OC(CO)[C@@H]([C@@H]7O)O)=O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)cc(c42)c(O[C@@H]([C@@H](O)3)OC([C@H](O)[C@H](O)3)CO)cc(O)c2)c(c1)cc(OC)c(O)c1
M END
