Mol:FL5FAAGL0105
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 75 82 0 0 0 0 0 0 0 0999 V2000 | + | 75 82 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1565 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1565 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1565 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1565 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3998 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3998 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9561 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9561 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9561 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9561 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3998 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3998 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5124 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5124 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0687 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0687 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0687 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0687 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5124 1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5124 1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5124 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5124 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6248 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6248 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1918 1.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1918 1.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7588 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7588 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7588 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7588 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1918 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1918 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6248 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6248 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7126 1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7126 1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3256 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3256 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4629 0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4629 0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2515 -0.5187 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.2515 -0.5187 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.5800 -0.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5800 -0.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.7931 -0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7931 -0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5800 -1.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5800 -1.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2515 -2.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2515 -2.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0385 -1.2687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0385 -1.2687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.0586 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0586 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5701 -1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5701 -1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4583 -2.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4583 -2.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1286 -0.6206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.1286 -0.6206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.8541 -0.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8541 -0.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3327 -0.1163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.3327 -0.1163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.1544 0.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1544 0.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4290 0.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4290 0.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9503 0.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9503 0.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.6175 0.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6175 0.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5695 -1.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5695 -1.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0056 -1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0056 -1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0489 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0489 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3998 -0.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3998 -0.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9791 1.5622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9791 1.5622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.5737 1.0270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5737 1.0270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9898 1.2540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9898 1.2540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3813 1.2473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.3813 1.2473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8359 1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8359 1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4322 1.4554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4322 1.4554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.4323 1.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4323 1.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2057 0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2057 0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6553 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6553 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6553 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6553 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1387 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1387 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0623 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0623 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0623 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0623 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4705 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4705 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4705 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4705 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0916 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0916 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6536 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6536 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6536 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6536 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0916 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0916 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2157 -2.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2157 -2.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3382 -0.8489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -4.3382 -0.8489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.6612 -0.7640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.6612 -0.7640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.5644 -0.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.5644 -0.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.1059 0.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.1059 0.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -3.8518 0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8518 0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8741 -0.3747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.8741 -0.3747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.3382 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3382 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8942 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8942 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9003 -0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9003 -0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2262 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2262 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0127 -3.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0127 -3.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6529 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6529 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9755 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9755 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8003 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8003 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9372 0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9372 0.9926 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 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 |
| − | 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 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 34 27 1 0 0 0 0 | + | 34 27 1 0 0 0 0 |
| − | 3 40 1 0 0 0 0 | + | 3 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 18 1 0 0 0 0 | + | 44 18 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 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 |
| − | 61 62 1 1 0 0 0 | + | 61 62 1 1 0 0 0 |
| − | 62 63 1 1 0 0 0 | + | 62 63 1 1 0 0 0 |
| − | 64 63 1 1 0 0 0 | + | 64 63 1 1 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 61 1 0 0 0 0 | + | 66 61 1 0 0 0 0 |
| − | 61 67 1 0 0 0 0 | + | 61 67 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 48 1 0 0 0 0 | + | 64 48 1 0 0 0 0 |
| − | 24 70 1 0 0 0 0 | + | 24 70 1 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 46 72 1 0 0 0 0 | + | 46 72 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 66 74 1 0 0 0 0 | + | 66 74 1 0 0 0 0 |
| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 74 75 | + | M SAL 3 2 74 75 |
| − | M SBL 3 1 81 | + | M SBL 3 1 81 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 81 -4.4655 -1.0205 | + | M SVB 3 81 -4.4655 -1.0205 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 72 73 | + | M SAL 2 2 72 73 |
| − | M SBL 2 1 79 | + | M SBL 2 1 79 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 79 -2.6529 2.1615 | + | M SVB 2 79 -2.6529 2.1615 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 70 71 | + | M SAL 1 2 70 71 |
| − | M SBL 1 1 77 | + | M SBL 1 1 77 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 77 2.9687 -2.2594 | + | M SVB 1 77 2.9687 -2.2594 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGL0105 | + | ID FL5FAAGL0105 |
| − | KNApSAcK_ID C00005926 | + | KNApSAcK_ID C00005926 |
| − | NAME Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside) | + | NAME Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside) |
| − | CAS_RN 173268-25-2 | + | CAS_RN 173268-25-2 |
| − | FORMULA C48H56O27 | + | FORMULA C48H56O27 |
| − | EXACTMASS 1064.300896586 | + | EXACTMASS 1064.300896586 |
| − | AVERAGEMASS 1064.94204 | + | AVERAGEMASS 1064.94204 |
| − | SMILES c(c1O)cc(C(=C6O[C@@H](C(O[C@@H](O8)[C@H]([C@H](O)[C@@H](C8C)O)O)7)O[C@H](CO)[C@H](O)C(O)7)Oc(c(C6=O)5)cc(cc5O)O[C@@H]([C@H]2OC(C=Cc(c4)ccc(O)c4)=O)OC([C@@H]([C@@H]2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)O)CO)cc1 | + | SMILES c(c1O)cc(C(=C6O[C@@H](C(O[C@@H](O8)[C@H]([C@H](O)[C@@H](C8C)O)O)7)O[C@H](CO)[C@H](O)C(O)7)Oc(c(C6=O)5)cc(cc5O)O[C@@H]([C@H]2OC(C=Cc(c4)ccc(O)c4)=O)OC([C@@H]([C@@H]2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)O)CO)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
75 82 0 0 0 0 0 0 0 0999 V2000
-0.1565 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1565 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3998 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9561 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9561 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3998 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0687 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5124 0.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6248 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1918 1.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7588 1.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7588 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1918 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6248 2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7126 1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3256 2.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4629 0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2515 -0.5187 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5800 -0.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7931 -0.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 -1.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2515 -2.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0385 -1.2687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.0586 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5701 -1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4583 -2.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1286 -0.6206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8541 -0.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3327 -0.1163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.1544 0.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 0.5912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9503 0.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6175 0.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5695 -1.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0056 -1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0489 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3998 -0.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9791 1.5622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5737 1.0270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9898 1.2540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3813 1.2473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8359 1.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4322 1.4554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4323 1.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2057 0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6553 0.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6553 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1387 -0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0623 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0623 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4705 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4705 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0916 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6536 -2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6536 -1.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0916 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2157 -2.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3382 -0.8489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6612 -0.7640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5644 -0.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1059 0.3228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8518 0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8741 -0.3747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.3382 -1.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8942 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9003 -0.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2262 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0127 -3.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9755 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8003 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9372 0.9926 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
8 20 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
22 20 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
35 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
34 27 1 0 0 0 0
3 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 18 1 0 0 0 0
49 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
61 62 1 1 0 0 0
62 63 1 1 0 0 0
64 63 1 1 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 61 1 0 0 0 0
61 67 1 0 0 0 0
62 68 1 0 0 0 0
63 69 1 0 0 0 0
64 48 1 0 0 0 0
24 70 1 0 0 0 0
70 71 1 0 0 0 0
46 72 1 0 0 0 0
72 73 1 0 0 0 0
66 74 1 0 0 0 0
74 75 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 74 75
M SBL 3 1 81
M SMT 3 CH2OH
M SVB 3 81 -4.4655 -1.0205
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 72 73
M SBL 2 1 79
M SMT 2 CH2OH
M SVB 2 79 -2.6529 2.1615
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 70 71
M SBL 1 1 77
M SMT 1 CH2OH
M SVB 1 77 2.9687 -2.2594
S SKP 8
ID FL5FAAGL0105
KNApSAcK_ID C00005926
NAME Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside)
CAS_RN 173268-25-2
FORMULA C48H56O27
EXACTMASS 1064.300896586
AVERAGEMASS 1064.94204
SMILES c(c1O)cc(C(=C6O[C@@H](C(O[C@@H](O8)[C@H]([C@H](O)[C@@H](C8C)O)O)7)O[C@H](CO)[C@H](O)C(O)7)Oc(c(C6=O)5)cc(cc5O)O[C@@H]([C@H]2OC(C=Cc(c4)ccc(O)c4)=O)OC([C@@H]([C@@H]2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)O)CO)cc1
M END
