Mol:BMCCPPPR0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 60 64 0 0 0 0 0 0 0 0999 V2000 | + | 60 64 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.2529 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2529 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1578 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1578 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2778 -3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2778 -3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0651 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0651 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0459 -2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0459 -2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8774 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8774 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0860 -1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0860 -1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6281 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6281 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4330 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4330 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8774 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8774 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9725 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9725 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8525 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8525 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0651 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0651 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0844 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0844 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2529 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2529 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0443 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0443 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5804 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5804 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5022 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5022 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6973 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6973 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0844 -2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0844 -2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4330 -0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4330 -0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6973 0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6973 0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8252 3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8252 3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7990 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7990 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6516 5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6516 5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5218 2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5218 2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5222 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5222 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9997 3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9997 3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3051 -3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3051 -3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3313 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3313 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4787 -5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4787 -5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6080 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6080 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3240 -0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3240 -0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5113 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5113 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4701 -4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4701 -4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6190 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6190 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6602 4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6602 4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0459 2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0459 2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5223 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5223 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8063 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8063 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6085 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6085 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.6081 -2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6081 -2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.1306 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.1306 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5304 4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5304 4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6254 6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6254 6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4768 4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4768 4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5999 -4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5999 -4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5048 -6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5048 -6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0123 -1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0123 -1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3516 -0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3516 -0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1954 -4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1954 -4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7035 -5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7035 -5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9348 4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9348 4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4268 5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4268 5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1179 1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1179 1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.7787 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.7787 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.6535 -4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6535 -4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.1303 -3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1303 -3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
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| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 18 33 1 0 0 0 0 | + | 18 33 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 21 4 1 0 0 0 0 | + | 21 4 1 0 0 0 0 |
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| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
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| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
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| − | 34 52 2 0 0 0 0 | + | 34 52 2 0 0 0 0 |
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| − | 3 35 1 0 0 0 0 | + | 3 35 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 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 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 39 11 1 0 0 0 0 | + | 39 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 |
| − | 14 39 1 0 0 0 0 | + | 14 39 1 0 0 0 0 |
| − | 36 53 1 0 0 0 0 | + | 36 53 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 36 54 2 0 0 0 0 | + | 36 54 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 8 40 1 0 0 0 0 | + | 8 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 13 37 1 0 0 0 0 | + | 13 37 1 0 0 0 0 |
| − | 41 57 1 0 0 0 0 | + | 41 57 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 41 58 2 0 0 0 0 | + | 41 58 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 7 42 1 0 0 0 0 | + | 7 42 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 38 55 1 0 0 0 0 | + | 38 55 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 32 49 1 0 0 0 0 | + | 32 49 1 0 0 0 0 |
| − | 44 59 1 0 0 0 0 | + | 44 59 1 0 0 0 0 |
| − | 38 56 2 0 0 0 0 | + | 38 56 2 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 BMCCPPPR0008 | + | ID BMCCPPPR0008 |
| − | NAME Uroporphyrinogen I | + | NAME Uroporphyrinogen I |
| − | FORMULA C40H44N4O16 | + | FORMULA C40H44N4O16 |
| − | EXACTMASS 836.2752 | + | EXACTMASS 836.2752 |
| − | AVERAGEMASS 836.7947 | + | AVERAGEMASS 836.7947 |
| − | SMILES C(O)(=O)Cc(c21)c(c(Cc(c5CC(O)=O)nc(c5CCC(O)=O)Cc(c4CC(O)=O)nc(c4CCC(O)=O)Cc(c3CC(O)=O)nc(c3CCC(O)=O)C2)n1)CCC(O)=O | + | SMILES C(O)(=O)Cc(c21)c(c(Cc(c5CC(O)=O)nc(c5CCC(O)=O)Cc(c4CC(O)=O)nc(c4CCC(O)=O)Cc(c3CC(O)=O)nc(c3CCC(O)=O)C2)n1)CCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05766 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05766 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
60 64 0 0 0 0 0 0 0 0999 V2000
6.2529 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1578 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2778 -3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 -2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0860 -1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6281 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9725 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8525 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2529 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5804 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5022 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 -2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 -0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8252 3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7990 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6516 5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5218 2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9997 3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3051 -3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3313 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4787 -5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3240 -0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5113 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4701 -4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6190 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6602 4.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5223 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8063 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6085 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6081 -2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1306 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5304 4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6254 6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 -4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5048 -6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0123 -1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3516 -0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1954 -4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7035 -5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9348 4.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4268 5.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1179 1.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7787 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6535 -4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1303 -3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26 45 1 0 0 0 0
1 21 1 0 0 0 0
32 50 2 0 0 0 0
28 29 1 0 0 0 0
18 33 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
21 4 1 0 0 0 0
17 16 2 0 0 0 0
24 25 1 0 0 0 0
33 34 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
16 23 1 0 0 0 0
29 47 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
34 51 1 0 0 0 0
4 5 1 0 0 0 0
26 46 2 0 0 0 0
5 6 1 0 0 0 0
9 22 1 0 0 0 0
34 52 2 0 0 0 0
29 48 2 0 0 0 0
12 24 1 0 0 0 0
3 35 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
22 6 1 0 0 0 0
13 14 2 0 0 0 0
25 26 1 0 0 0 0
35 36 1 0 0 0 0
2 30 1 0 0 0 0
39 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
14 39 1 0 0 0 0
36 53 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
17 27 1 0 0 0 0
14 15 1 0 0 0 0
36 54 2 0 0 0 0
15 16 1 0 0 0 0
30 31 1 0 0 0 0
8 40 1 0 0 0 0
40 41 1 0 0 0 0
13 37 1 0 0 0 0
41 57 1 0 0 0 0
31 32 1 0 0 0 0
41 58 2 0 0 0 0
37 38 1 0 0 0 0
7 42 1 0 0 0 0
27 28 1 0 0 0 0
42 43 1 0 0 0 0
38 55 1 0 0 0 0
43 44 1 0 0 0 0
32 49 1 0 0 0 0
44 59 1 0 0 0 0
38 56 2 0 0 0 0
44 60 2 0 0 0 0
S SKP 7
ID BMCCPPPR0008
NAME Uroporphyrinogen I
FORMULA C40H44N4O16
EXACTMASS 836.2752
AVERAGEMASS 836.7947
SMILES C(O)(=O)Cc(c21)c(c(Cc(c5CC(O)=O)nc(c5CCC(O)=O)Cc(c4CC(O)=O)nc(c4CCC(O)=O)Cc(c3CC(O)=O)nc(c3CCC(O)=O)C2)n1)CCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05766
M END
