Mol:BMCCPPBL0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 61 64 0 0 0 0 0 0 0 0999 V2000 | + | 61 64 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.4190 -2.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4190 -2.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1100 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1100 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9190 -3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9190 -3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7281 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6791 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6791 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4223 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4223 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4004 -3.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4004 -3.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2313 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2313 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4392 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4392 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6960 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6960 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8006 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8006 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8870 1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8870 1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2179 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2179 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0498 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0498 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6431 1.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6431 1.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1431 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1431 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4740 3.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4740 3.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5604 3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5604 3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4190 -2.3110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4190 -2.3110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3177 -1.9074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3177 -1.9074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7179 -0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7179 -0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6650 2.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6650 2.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8313 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8313 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9190 -4.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9190 -4.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7851 -5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7851 -5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7851 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7851 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8071 -4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8071 -4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8017 -4.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8017 -4.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6666 1.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6666 1.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6666 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6666 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6791 2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6791 2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4223 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4223 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2143 4.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2143 4.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1376 2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1376 2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5444 3.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5444 3.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6819 4.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6819 4.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9387 5.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9387 5.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1466 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1466 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2380 -0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2380 -0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9190 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9190 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6511 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6511 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2084 -5.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2084 -5.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.3895 -3.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3895 -3.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9004 -2.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9004 -2.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9004 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9004 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4858 2.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4858 2.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5326 3.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5326 3.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9575 4.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9575 4.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2633 4.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2633 4.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5389 3.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5389 3.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9566 4.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9566 4.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0977 6.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0977 6.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4035 6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4035 6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 45 1 0 0 0 0 | + | 24 45 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 47 2 0 0 0 0 | + | 26 47 2 0 0 0 0 |
| − | 26 46 1 0 0 0 0 | + | 26 46 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 49 1 0 0 0 0 | + | 29 49 1 0 0 0 0 |
| − | 29 48 2 0 0 0 0 | + | 29 48 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 9 1 0 0 0 0 | + | 21 9 1 0 0 0 0 |
| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
| − | 7 30 1 0 0 0 0 | + | 7 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 51 1 0 0 0 0 | + | 31 51 1 0 0 0 0 |
| − | 31 50 2 0 0 0 0 | + | 31 50 2 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 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 53 1 0 0 0 0 | + | 34 53 1 0 0 0 0 |
| − | 34 52 2 0 0 0 0 | + | 34 52 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 22 1 0 0 0 0 | + | 11 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 12 35 1 0 0 0 0 | + | 12 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 54 1 0 0 0 0 | + | 36 54 1 0 0 0 0 |
| − | 36 55 2 0 0 0 0 | + | 36 55 2 0 0 0 0 |
| − | 13 37 1 0 0 0 0 | + | 13 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 56 1 0 0 0 0 | + | 39 56 1 0 0 0 0 |
| − | 39 57 2 0 0 0 0 | + | 39 57 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 19 18 2 0 0 0 0 | + | 19 18 2 0 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 17 40 1 0 0 0 0 | + | 17 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 58 1 0 0 0 0 | + | 41 58 1 0 0 0 0 |
| − | 41 59 2 0 0 0 0 | + | 41 59 2 0 0 0 0 |
| − | 18 42 1 0 0 0 0 | + | 18 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 61 1 0 0 0 0 | + | 44 61 1 0 0 0 0 |
| − | 44 60 2 0 0 0 0 | + | 44 60 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPBL0006 | + | ID BMCCPPBL0006 |
| − | NAME Hydroxy-methylbilane | + | NAME Hydroxy-methylbilane |
| − | FORMULA C40H46N4O17 | + | FORMULA C40H46N4O17 |
| − | EXACTMASS 854.2857 | + | EXACTMASS 854.2857 |
| − | AVERAGEMASS 854.81 | + | AVERAGEMASS 854.81 |
| − | SMILES OC(=O)Cc(c(Cc(c(CCC(O)=O)4)nc(CO)c4CC(O)=O)3)c(c(n3)Cc(n1)c(CC(O)=O)c(CCC(O)=O)c1Cc(n2)c(c(CCC(O)=O)c2)CC(O)=O)CCC(O)=O | + | SMILES OC(=O)Cc(c(Cc(c(CCC(O)=O)4)nc(CO)c4CC(O)=O)3)c(c(n3)Cc(n1)c(CC(O)=O)c(CCC(O)=O)c1Cc(n2)c(c(CCC(O)=O)c2)CC(O)=O)CCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01024 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01024 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
61 64 0 0 0 0 0 0 0 0999 V2000
4.4190 -2.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 -3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4004 -3.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2313 -1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4392 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6960 0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8006 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2179 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0498 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6431 1.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4740 3.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5604 3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4190 -2.3110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3177 -1.9074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7179 -0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6650 2.1540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8313 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 -4.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7851 -5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7851 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8071 -4.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8017 -4.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9004 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4004 -1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6666 1.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6666 2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 4.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1376 2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5444 3.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6819 4.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9387 5.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1466 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2380 -0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6511 -6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2084 -5.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3895 -3.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9004 -2.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9004 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4858 2.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5326 3.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 4.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 4.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5389 3.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9566 4.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0977 6.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 6.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 20 1 0 0 0 0
20 1 1 0 0 0 0
1 2 2 0 0 0 0
1 24 1 0 0 0 0
24 45 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 47 2 0 0 0 0
26 46 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 49 1 0 0 0 0
29 48 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 21 1 0 0 0 0
21 9 1 0 0 0 0
9 8 2 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
7 30 1 0 0 0 0
30 31 1 0 0 0 0
31 51 1 0 0 0 0
31 50 2 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 53 1 0 0 0 0
34 52 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 22 1 0 0 0 0
22 14 1 0 0 0 0
14 13 2 0 0 0 0
13 12 1 0 0 0 0
12 11 2 0 0 0 0
12 35 1 0 0 0 0
35 36 1 0 0 0 0
36 54 1 0 0 0 0
36 55 2 0 0 0 0
13 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 56 1 0 0 0 0
39 57 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 23 1 0 0 0 0
23 19 1 0 0 0 0
19 18 2 0 0 0 0
18 17 1 0 0 0 0
17 16 2 0 0 0 0
17 40 1 0 0 0 0
40 41 1 0 0 0 0
41 58 1 0 0 0 0
41 59 2 0 0 0 0
18 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 61 1 0 0 0 0
44 60 2 0 0 0 0
S SKP 7
ID BMCCPPBL0006
NAME Hydroxy-methylbilane
FORMULA C40H46N4O17
EXACTMASS 854.2857
AVERAGEMASS 854.81
SMILES OC(=O)Cc(c(Cc(c(CCC(O)=O)4)nc(CO)c4CC(O)=O)3)c(c(n3)Cc(n1)c(CC(O)=O)c(CCC(O)=O)c1Cc(n2)c(c(CCC(O)=O)c2)CC(O)=O)CCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01024
M END
