Mol:KOX00588
From Metabolomics.JP
(Difference between revisions)
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− | + | <CAS_ID> 50-89-5 <KEGG_ID> C00214 <NAME> Thymidine <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 <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 | ||
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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 | ||
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M END | M END |
Revision as of 09:00, 8 June 2009
<CAS_ID> 50-89-5 <KEGG_ID> C00214 <NAME> Thymidine <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 <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 M END