Mol:FL7AACGL0084
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 95103 0 0 0 0 0 0 0 0999 V2000 | + | 95103 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4550 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4550 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4550 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4550 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7406 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7406 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0261 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0261 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0261 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0261 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7406 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7406 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3116 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3116 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5971 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5971 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5971 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5971 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3116 3.7862 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.3116 3.7862 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1173 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1173 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8318 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8318 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5463 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5463 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5463 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5463 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8318 5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8318 5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1173 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1173 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2607 5.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2607 5.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1695 3.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1695 3.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1173 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1173 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2607 3.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2607 3.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5337 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5337 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1212 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1212 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3231 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3231 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5299 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5299 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9423 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9423 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7404 1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7404 1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3524 1.2428 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3524 1.2428 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7962 0.5657 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7962 0.5657 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0026 0.7826 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0026 0.7826 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2280 0.5705 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2280 0.5705 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7841 1.2477 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7841 1.2477 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5777 1.0308 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5777 1.0308 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0690 1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0690 1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7125 2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7125 2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8680 0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8680 0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1024 1.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1024 1.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7386 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7386 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0572 -0.2190 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0572 -0.2190 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7204 -0.4944 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7204 -0.4944 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3473 0.2326 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3473 0.2326 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4169 1.0422 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4169 1.0422 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3607 1.3177 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3607 1.3177 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0123 0.5907 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0123 0.5907 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0526 1.0211 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0526 1.0211 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8130 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8130 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1443 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1443 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5069 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5069 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0572 -1.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0572 -1.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5860 0.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5860 0.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5120 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5120 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6093 -0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6093 -0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5300 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5300 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2445 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2445 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9590 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9590 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9590 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9590 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6734 -1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6734 -1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3879 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3879 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3879 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3879 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6734 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6734 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1024 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1024 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1024 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1024 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1024 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1024 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6734 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6734 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9590 -3.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9590 -3.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4421 0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4421 0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 -2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 -2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2987 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2987 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2987 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2987 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 -4.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 -4.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1250 3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1250 3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7125 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7125 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1250 4.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1250 4.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7125 5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7125 5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9500 4.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9500 4.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9500 3.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9500 3.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4440 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4440 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9091 -4.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9091 -4.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6892 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6892 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4972 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4972 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0322 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0322 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2521 -4.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2521 -4.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1004 -4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1004 -4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7159 -3.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7159 -3.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6320 -5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6320 -5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0660 -4.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0660 -4.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5671 -5.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5671 -5.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0805 -0.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0805 -0.6050 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 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 24 36 1 0 0 0 0 | + | 24 36 1 0 0 0 0 |
| − | 22 37 1 0 0 0 0 | + | 22 37 1 0 0 0 0 |
| − | 23 38 1 0 0 0 0 | + | 23 38 1 0 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 39 44 1 1 0 0 0 | + | 39 44 1 1 0 0 0 |
| − | 20 43 1 0 0 0 0 | + | 20 43 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 41 46 1 0 0 0 0 | + | 41 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
| − | 39 49 1 0 0 0 0 | + | 39 49 1 0 0 0 0 |
| − | 32 45 1 0 0 0 0 | + | 32 45 1 0 0 0 0 |
| − | 31 50 1 0 0 0 0 | + | 31 50 1 0 0 0 0 |
| − | 30 51 1 0 0 0 0 | + | 30 51 1 0 0 0 0 |
| − | 29 52 1 0 0 0 0 | + | 29 52 1 0 0 0 0 |
| − | 54 53 1 0 0 0 0 | + | 54 53 1 0 0 0 0 |
| − | 55 54 2 0 0 0 0 | + | 55 54 2 0 0 0 0 |
| − | 56 55 1 0 0 0 0 | + | 56 55 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 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 60 62 1 0 0 0 0 | + | 60 62 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 59 64 1 0 0 0 0 | + | 59 64 1 0 0 0 0 |
| − | 58 65 1 0 0 0 0 | + | 58 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 53 50 1 0 0 0 0 | + | 53 50 1 0 0 0 0 |
| − | 47 67 1 0 0 0 0 | + | 47 67 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 67 69 2 0 0 0 0 | + | 67 69 2 0 0 0 0 |
| − | 68 70 2 0 0 0 0 | + | 68 70 2 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 2 0 0 0 0 | + | 71 72 2 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | 75 76 2 0 0 0 0 | + | 75 76 2 0 0 0 0 |
| − | 76 71 1 0 0 0 0 | + | 76 71 1 0 0 0 0 |
| − | 74 77 1 0 0 0 0 | + | 74 77 1 0 0 0 0 |
| − | 78 35 1 0 0 0 0 | + | 78 35 1 0 0 0 0 |
| − | 79 78 1 0 0 0 0 | + | 79 78 1 0 0 0 0 |
| − | 80 79 1 0 0 0 0 | + | 80 79 1 0 0 0 0 |
| − | 80 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
| − | 80 82 2 0 0 0 0 | + | 80 82 2 0 0 0 0 |
| − | 78 83 2 0 0 0 0 | + | 78 83 2 0 0 0 0 |
| − | 84 85 1 0 0 0 0 | + | 84 85 1 0 0 0 0 |
| − | 85 86 1 0 0 0 0 | + | 85 86 1 0 0 0 0 |
| − | 86 87 1 0 0 0 0 | + | 86 87 1 0 0 0 0 |
| − | 87 88 1 1 0 0 0 | + | 87 88 1 1 0 0 0 |
| − | 88 89 1 1 0 0 0 | + | 88 89 1 1 0 0 0 |
| − | 84 89 1 1 0 0 0 | + | 84 89 1 1 0 0 0 |
| − | 84 77 1 0 0 0 0 | + | 84 77 1 0 0 0 0 |
| − | 86 90 1 0 0 0 0 | + | 86 90 1 0 0 0 0 |
| − | 90 91 1 0 0 0 0 | + | 90 91 1 0 0 0 0 |
| − | 89 92 1 0 0 0 0 | + | 89 92 1 0 0 0 0 |
| − | 87 93 1 0 0 0 0 | + | 87 93 1 0 0 0 0 |
| − | 88 94 1 0 0 0 0 | + | 88 94 1 0 0 0 0 |
| − | 53 95 2 0 0 0 0 | + | 53 95 2 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0084 | + | ID FL7AACGL0084 |
| − | FORMULA C61H67O34 | + | FORMULA C61H67O34 |
| − | EXACTMASS 1343.351374292 | + | EXACTMASS 1343.351374292 |
| − | AVERAGEMASS 1344.16428 | + | AVERAGEMASS 1344.16428 |
| − | SMILES OC(CC(=O)OCC(C9O)OC(C(O)C9O)Oc(c81)cc(cc([o+1]c(c(c8)OC(O5)C(C(O)C(C5COC(=O)C=Cc(c7)ccc(c7)OC(O6)C(O)C(C(C(CO)6)O)O)O)OC(C(OC(=O)C=Cc(c4)cc(OC)c(O)c(OC)4)3)OCC(O)C3O)c(c2)cc(c(O)c2)O)1)O)=O | + | SMILES OC(CC(=O)OCC(C9O)OC(C(O)C9O)Oc(c81)cc(cc([o+1]c(c(c8)OC(O5)C(C(O)C(C5COC(=O)C=Cc(c7)ccc(c7)OC(O6)C(O)C(C(C(CO)6)O)O)O)OC(C(OC(=O)C=Cc(c4)cc(OC)c(O)c(OC)4)3)OCC(O)C3O)c(c2)cc(c(O)c2)O)1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
95103 0 0 0 0 0 0 0 0999 V2000
-3.4550 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4550 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 3.7862 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1173 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8318 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8318 5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 5.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1695 3.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 3.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5337 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1212 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3231 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5299 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9423 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7404 1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3524 1.2428 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7962 0.5657 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0026 0.7826 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 0.5705 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7841 1.2477 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 1.0308 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0690 1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8680 0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1024 1.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7386 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 -0.2190 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 -0.4944 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 0.2326 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4169 1.0422 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3607 1.3177 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 0.5907 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0526 1.0211 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8130 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5069 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 -1.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5860 0.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5120 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5300 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2445 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3879 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3879 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -3.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -4.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1250 3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1250 4.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9500 4.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9500 3.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9091 -4.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6892 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4972 -4.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0322 -5.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -4.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1004 -4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7159 -3.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6320 -5.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0660 -4.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5671 -5.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0805 -0.6050 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
10 5 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 9 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
9 10 2 0 0 0 0
8 20 1 0 0 0 0
9 11 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
19 25 1 0 0 0 0
27 34 1 0 0 0 0
34 35 1 0 0 0 0
24 36 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
39 44 1 1 0 0 0
20 43 1 0 0 0 0
44 45 1 0 0 0 0
41 46 1 0 0 0 0
46 47 1 0 0 0 0
40 48 1 0 0 0 0
39 49 1 0 0 0 0
32 45 1 0 0 0 0
31 50 1 0 0 0 0
30 51 1 0 0 0 0
29 52 1 0 0 0 0
54 53 1 0 0 0 0
55 54 2 0 0 0 0
56 55 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 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
59 64 1 0 0 0 0
58 65 1 0 0 0 0
65 66 1 0 0 0 0
53 50 1 0 0 0 0
47 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 2 0 0 0 0
68 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
75 76 2 0 0 0 0
76 71 1 0 0 0 0
74 77 1 0 0 0 0
78 35 1 0 0 0 0
79 78 1 0 0 0 0
80 79 1 0 0 0 0
80 81 1 0 0 0 0
80 82 2 0 0 0 0
78 83 2 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 1 0 0 0
88 89 1 1 0 0 0
84 89 1 1 0 0 0
84 77 1 0 0 0 0
86 90 1 0 0 0 0
90 91 1 0 0 0 0
89 92 1 0 0 0 0
87 93 1 0 0 0 0
88 94 1 0 0 0 0
53 95 2 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0084
FORMULA C61H67O34
EXACTMASS 1343.351374292
AVERAGEMASS 1344.16428
SMILES OC(CC(=O)OCC(C9O)OC(C(O)C9O)Oc(c81)cc(cc([o+1]c(c(c8)OC(O5)C(C(O)C(C5COC(=O)C=Cc(c7)ccc(c7)OC(O6)C(O)C(C(C(CO)6)O)O)O)OC(C(OC(=O)C=Cc(c4)cc(OC)c(O)c(OC)4)3)OCC(O)C3O)c(c2)cc(c(O)c2)O)1)O)=O
M END
