Mol:BMCCVE--0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 32 0 0 1 0 0 0 0 0999 V2000 | + | 31 32 0 0 1 0 0 0 0 0999 V2000 |
− | 3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4641 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
− | 21 8 2 0 0 0 0 | + | 21 8 2 0 0 0 0 |
− | 22 4 1 0 0 0 0 | + | 22 4 1 0 0 0 0 |
− | 22 5 2 0 0 0 0 | + | 22 5 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
− | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
− | 2 9 1 0 0 0 0 | + | 2 9 1 0 0 0 0 |
− | 2 23 1 4 0 0 0 | + | 2 23 1 4 0 0 0 |
− | 7 26 1 0 0 0 0 | + | 7 26 1 0 0 0 0 |
− | 6 25 1 0 0 0 0 | + | 6 25 1 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 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 12 28 1 4 0 0 0 | + | 12 28 1 4 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 16 29 1 4 0 0 0 | + | 16 29 1 4 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 30 1 0 0 0 0 | + | 20 30 1 0 0 0 0 |
− | 20 31 1 0 0 0 0 | + | 20 31 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCVE--0001 | + | ID BMCCVE--0001 |
− | NAME alpha-Tocopherol | + | NAME alpha-Tocopherol |
− | FORMULA C29H50O2 | + | FORMULA C29H50O2 |
− | EXACTMASS 430.381 | + | EXACTMASS 430.381 |
− | AVERAGEMASS 430.7061 | + | AVERAGEMASS 430.7061 |
− | SMILES C(C(C)CCCC(CCCC(O1)(CCc(c(C)2)c1c(c(c(O)2)C)C)C)C)CCC(C)C | + | SMILES C(C(C)CCCC(CCCC(O1)(CCc(c(C)2)c1c(c(c(O)2)C)C)C)C)CCC(C)C |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02477 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02477 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 1 0 0 0 0 0999 V2000 3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 21 1 1 0 0 0 0 21 8 2 0 0 0 0 22 4 1 0 0 0 0 22 5 2 0 0 0 0 1 2 1 0 0 0 0 8 7 1 0 0 0 0 8 27 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 4 0 0 0 7 26 1 0 0 0 0 6 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 4 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 4 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 2 3 1 0 0 0 0 7 6 2 0 0 0 0 S SKP 7 ID BMCCVE--0001 NAME alpha-Tocopherol FORMULA C29H50O2 EXACTMASS 430.381 AVERAGEMASS 430.7061 SMILES C(C(C)CCCC(CCCC(O1)(CCc(c(C)2)c1c(c(c(O)2)C)C)C)C)CCC(C)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02477 M END