Mol:BMMCQN--s012
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 53 53 0 0 0 0 0 0 0 0999 V2000 | + | 53 53 0 0 0 0 0 0 0 0999 V2000 |
− | 3.7321 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2583 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1244 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1244 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1244 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9904 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9904 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8564 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8564 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8564 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.7224 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.7224 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.5885 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5885 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.5885 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5885 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.4545 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.4545 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.2583 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9904 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9904 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.7224 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.7224 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 13.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 13.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 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 |
− | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
− | 20 44 1 0 0 0 0 | + | 20 44 1 0 0 0 0 |
− | 24 45 1 0 0 0 0 | + | 24 45 1 0 0 0 0 |
− | 28 46 1 0 0 0 0 | + | 28 46 1 0 0 0 0 |
− | 32 47 1 0 0 0 0 | + | 32 47 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 36 48 1 0 0 0 0 | + | 36 48 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 49 1 0 0 0 0 | + | 40 49 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCQN--s012 | + | ID BMMCQN--s012 |
− | NAME Ubiquinone | + | NAME Ubiquinone |
− | FORMULA C49H74O4 | + | FORMULA C49H74O4 |
− | EXACTMASS 726.5587 | + | EXACTMASS 726.5587 |
− | AVERAGEMASS 727.1094 | + | AVERAGEMASS 727.1094 |
− | SMILES CC(=CCc(c1=O)c(c(c(c1OC)OC)=O)C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C | + | SMILES CC(=CCc(c1=O)c(c(c(c1OC)OC)=O)C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00399 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00399 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 53 53 0 0 0 0 0 0 0 0999 V2000 3.7321 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 13.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 6 1 0 0 0 0 6 5 2 0 0 0 0 5 4 1 0 0 0 0 4 50 2 0 0 0 0 1 51 2 0 0 0 0 3 52 1 0 0 0 0 52 8 1 0 0 0 0 2 53 1 0 0 0 0 53 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 16 43 1 0 0 0 0 20 44 1 0 0 0 0 24 45 1 0 0 0 0 28 46 1 0 0 0 0 32 47 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 36 48 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 49 1 0 0 0 0 40 41 1 0 0 0 0 S SKP 7 ID BMMCQN--s012 NAME Ubiquinone FORMULA C49H74O4 EXACTMASS 726.5587 AVERAGEMASS 727.1094 SMILES CC(=CCc(c1=O)c(c(c(c1OC)OC)=O)C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00399 M END