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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 50 2 0 0 0 0 | + | 4 50 2 0 0 0 0 |
| − | 1 51 2 0 0 0 0 | + | 1 51 2 0 0 0 0 |
| − | 3 52 1 0 0 0 0 | + | 3 52 1 0 0 0 0 |
| − | 52 8 1 0 0 0 0 | + | 52 8 1 0 0 0 0 |
| − | 2 53 1 0 0 0 0 | + | 2 53 1 0 0 0 0 |
| − | 53 7 1 0 0 0 0 | + | 53 7 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 12 42 1 0 0 0 0 | + | 12 42 1 0 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 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 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 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 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
