Mol:BMCCPPPR0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 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 |
− | 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 |
− | 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 |
− | 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 |
− | 8.6190 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 |
− | 12.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5499 -0.7873 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 |
− | 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 |
− | 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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− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
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− | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
− | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
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− | 4 5 1 0 0 0 0 | + | 4 5 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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− | 33 46 2 0 0 0 0 | + | 33 46 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 18 34 1 0 0 0 0 | + | 18 34 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 |
− | 30 43 1 0 0 0 0 | + | 30 43 1 0 0 0 0 |
− | 3 35 1 0 0 0 0 | + | 3 35 1 0 0 0 0 |
− | 23 11 1 0 0 0 0 | + | 23 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 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
− | 27 42 2 0 0 0 0 | + | 27 42 2 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 |
− | 30 44 2 0 0 0 0 | + | 30 44 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 13 36 1 0 0 0 0 | + | 13 36 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
− | 8 37 1 0 0 0 0 | + | 8 37 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 7 38 1 0 0 0 0 | + | 7 38 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
− | 40 47 1 0 0 0 0 | + | 40 47 1 0 0 0 0 |
− | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
− | 40 48 2 0 0 0 0 | + | 40 48 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPPPR0001 | + | ID BMCCPPPR0001 |
− | NAME Coproporphyrinogen I | + | NAME Coproporphyrinogen I |
− | FORMULA C36H44N4O8 | + | FORMULA C36H44N4O8 |
− | EXACTMASS 660.3159 | + | EXACTMASS 660.3159 |
− | AVERAGEMASS 660.7567 | + | AVERAGEMASS 660.7567 |
− | SMILES c(C4)(n1)c(C)c(CCC(O)=O)c(Cc(n2)c(C)c(CCC(O)=O)c(Cc(n3)c(C)c(CCC(O)=O)c(Cc(n5)c(C)c(CCC(O)=O)c45)3)2)1 | + | SMILES c(C4)(n1)c(C)c(CCC(O)=O)c(Cc(n2)c(C)c(CCC(O)=O)c(Cc(n3)c(C)c(CCC(O)=O)c(Cc(n5)c(C)c(CCC(O)=O)c45)3)2)1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05768 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05768 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 48 52 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 9.0459 2.3678 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 7.5113 -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 12.5499 -0.7873 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 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 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 31 32 1 0 0 0 0 24 19 1 0 0 0 0 19 18 2 0 0 0 0 18 17 1 0 0 0 0 16 24 1 0 0 0 0 32 33 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 28 29 1 0 0 0 0 4 5 1 0 0 0 0 33 45 1 0 0 0 0 5 6 1 0 0 0 0 9 22 1 0 0 0 0 27 41 1 0 0 0 0 33 46 2 0 0 0 0 29 30 1 0 0 0 0 18 34 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 30 43 1 0 0 0 0 3 35 1 0 0 0 0 23 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 23 1 0 0 0 0 27 42 2 0 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 30 44 2 0 0 0 0 14 15 1 0 0 0 0 13 36 1 0 0 0 0 15 16 1 0 0 0 0 12 25 1 0 0 0 0 8 37 1 0 0 0 0 1 21 1 0 0 0 0 7 38 1 0 0 0 0 26 27 1 0 0 0 0 38 39 1 0 0 0 0 2 31 1 0 0 0 0 39 40 1 0 0 0 0 17 28 1 0 0 0 0 40 47 1 0 0 0 0 4 3 2 0 0 0 0 40 48 2 0 0 0 0 S SKP 7 ID BMCCPPPR0001 NAME Coproporphyrinogen I FORMULA C36H44N4O8 EXACTMASS 660.3159 AVERAGEMASS 660.7567 SMILES c(C4)(n1)c(C)c(CCC(O)=O)c(Cc(n2)c(C)c(CCC(O)=O)c(Cc(n3)c(C)c(CCC(O)=O)c(Cc(n5)c(C)c(CCC(O)=O)c45)3)2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05768 M END