Mol:KOX00588
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM PROJECT http://www.metabolome.jp/ | + | Copyright: ARM PROJECT http://www.metabolome.jp/ |
− | 17 18 0 0 1 0 0 0 0 0999 V2000 | + | 17 18 0 0 1 0 0 0 0 0999 V2000 |
− | 4.0823 -0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2163 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2163 -1.6739 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 | + | 3.2163 -1.6739 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 |
− | 4.0823 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9483 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9483 -0.6739 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.9483 -0.6739 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
− | 2.3503 -0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3503 -0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0823 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8144 -2.1739 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 | + | 5.8144 -2.1739 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 |
− | 4.0823 0.8261 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 4.0823 0.8261 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
− | 4.8913 1.4139 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 | + | 4.8913 1.4139 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 |
− | 4.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 4.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
− | 3.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 3.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
− | 2.9945 3.1739 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 | + | 2.9945 3.1739 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 |
− | 5.1701 3.1739 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 5.1701 3.1739 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
− | 3.2733 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2733 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 3.0694 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.0000 3.0694 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
− | 10 16 1 6 0 0 0 | + | 10 16 1 6 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
− | 13 16 1 6 0 0 0 | + | 13 16 1 6 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
− | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 12 15 1 1 0 0 0 | + | 12 15 1 1 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
− | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
− | 10 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
− | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | S SKP | + | S SKP 8 |
− | CAS_RN 50-89-5 | + | CAS_RN 50-89-5 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00214 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00214 |
− | NAME Thymidine | + | NAME Thymidine |
+ | ID KOX00588 | ||
+ | FORMULA C10H14N2O5 | ||
+ | EXACTMASS 242.090271568 | ||
+ | AVERAGEMASS 242.22864000000004 | ||
+ | SMILES OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)NC(=O)C(C)2 | ||
M END | M END |
Latest revision as of 14:18, 11 June 2009
Copyright: ARM PROJECT http://www.metabolome.jp/ 17 18 0 0 1 0 0 0 0 0999 V2000 4.0823 -0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.6739 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0 4.0823 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -0.6739 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 2.3503 -0.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -2.1739 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 4.0823 0.8261 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 4.8913 1.4139 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 4.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 3.5823 2.3649 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 2.9945 3.1739 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 5.1701 3.1739 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 3.2733 1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0694 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 10 16 1 6 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 13 16 1 6 0 0 0 11 12 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 6 5 2 0 0 0 0 13 14 1 0 0 0 0 12 15 1 1 0 0 0 3 4 1 0 0 0 0 12 13 1 0 0 0 0 5 4 1 0 0 0 0 5 9 1 0 0 0 0 10 1 1 0 0 0 0 4 8 2 0 0 0 0 14 17 1 0 0 0 0 S SKP 8 CAS_RN 50-89-5 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00214 NAME Thymidine ID KOX00588 FORMULA C10H14N2O5 EXACTMASS 242.090271568 AVERAGEMASS 242.22864000000004 SMILES OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)NC(=O)C(C)2 M END