Mol:BMCCPPPR0002
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 |
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− | 11.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 9.0459 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0459 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 8.8525 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8525 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 5.6973 0.6102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6973 0.6102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 4.4787 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4787 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6080 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6080 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5218 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5218 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5222 2.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5222 2.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9997 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9997 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6190 4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6190 4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.3444 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3444 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.1110 5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1110 5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.8252 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8252 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4768 4.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4768 4.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 3.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5999 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5999 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5048 -6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5048 -6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.6535 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6535 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1303 -3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1303 -3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 18 40 1 0 0 0 0 | + | 18 40 1 0 0 0 0 |
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− | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 8 30 1 0 0 0 0 | + | 8 30 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 13 34 1 0 0 0 0 | + | 13 34 1 0 0 0 0 |
− | 28 45 1 0 0 0 0 | + | 28 45 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 28 46 2 0 0 0 0 | + | 28 46 2 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 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
− | 39 48 2 0 0 0 0 | + | 39 48 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPPPR0002 | + | ID BMCCPPPR0002 |
− | NAME Coproporphyrinogen III | + | NAME Coproporphyrinogen III |
− | FORMULA C36H44N4O8 | + | FORMULA C36H44N4O8 |
− | EXACTMASS 660.3159 | + | EXACTMASS 660.3159 |
− | AVERAGEMASS 660.7567 | + | AVERAGEMASS 660.7567 |
− | SMILES C(CCc(c(C)1)c(C4)nc1Cc(c(CCC(O)=O)2)nc(Cc(c3CCC(O)=O)nc(Cc(n5)c(c(c45)CCC(O)=O)C)c(C)3)c2C)(O)=O | + | SMILES C(CCc(c(C)1)c(C4)nc1Cc(c(CCC(O)=O)2)nc(Cc(c3CCC(O)=O)nc(Cc(n5)c(c(c45)CCC(O)=O)C)c(C)3)c2C)(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03263 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03263 |
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 10.6281 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0459 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -2.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -3.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 1.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8525 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9725 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 -1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 -2.7384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 0.6102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0459 1.9973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6085 -3.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6081 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 -3.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5113 -4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 -3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -4.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 2.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3444 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8252 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 4.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 -6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6535 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1303 -3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 6.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 6.4357 0.0000 O 0 0 0 0 0 0 0 0 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 30 31 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 31 32 1 0 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 34 35 1 0 0 0 0 6 5 1 0 0 0 0 32 43 1 0 0 0 0 5 4 1 0 0 0 0 1 21 1 0 0 0 0 32 44 2 0 0 0 0 35 36 1 0 0 0 0 12 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 36 41 1 0 0 0 0 7 29 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 19 20 1 0 0 0 0 20 1 1 0 0 0 0 36 42 2 0 0 0 0 16 15 1 0 0 0 0 17 37 1 0 0 0 0 15 14 1 0 0 0 0 18 40 1 0 0 0 0 2 25 1 0 0 0 0 9 22 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 8 30 1 0 0 0 0 27 28 1 0 0 0 0 13 34 1 0 0 0 0 28 45 1 0 0 0 0 6 7 2 0 0 0 0 28 46 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 47 1 0 0 0 0 39 48 2 0 0 0 0 S SKP 7 ID BMCCPPPR0002 NAME Coproporphyrinogen III FORMULA C36H44N4O8 EXACTMASS 660.3159 AVERAGEMASS 660.7567 SMILES C(CCc(c(C)1)c(C4)nc1Cc(c(CCC(O)=O)2)nc(Cc(c3CCC(O)=O)nc(Cc(n5)c(c(c45)CCC(O)=O)C)c(C)3)c2C)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03263 M END