Mol:KOX00004
From Metabolomics.JP
(Difference between revisions)
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| − | <CAS_ID> 58-61-7 <KEGG_ID> C00212 <NAME> Adenosin <FORMULA> C10H13N5O4 <EXACTMASS> 267.096753929 <AVERAGEMASS> 267.24152 <SMILES> OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 <COPYRIGHT> ARM PROJECT http://www.metabolome.jp/ | + | <CAS_ID> 58-61-7 <KEGG_ID> C00212 <NAME> Adenosin <FORMULA> C10H13N5O4 <EXACTMASS> 267.096753929 <AVERAGEMASS> 267.24152 <SMILES> OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 <COPYRIGHT> ARM PROJECT http://www.metabolome.jp/ |
| − | 19 21 0 0 1 0 0 0 0 0999 V2000 | + | 19 21 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5970 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.5981 2.5970 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.0143 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 | + | 2.5296 0.0143 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0970 0.0000 N 0 0 0 2 0 0 0 0 0 0 0 0 | + | 2.0000 3.0970 0.0000 N 0 0 0 2 0 0 0 0 0 0 0 0 |
| − | 4.1933 -0.6243 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 4.1933 -0.6243 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 3.9854 -1.6025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 3.9854 -1.6025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 4.8514 -2.1025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 4.8514 -2.1025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 5.5945 -1.4333 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 | + | 5.5945 -1.4333 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0 |
| − | 6.5727 -1.6412 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 | + | 6.5727 -1.6412 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 |
| − | 3.0718 -2.0092 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 3.0718 -2.0092 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 4.9559 -3.0970 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 4.9559 -3.0970 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.8981 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 | + | 7.2418 -0.8981 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| + | S SKP 5 | ||
| + | ID KOX00004 | ||
| + | FORMULA C10H13N5O4 | ||
| + | EXACTMASS 267.096753929 | ||
| + | AVERAGEMASS 267.24152 | ||
| + | SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 | ||
M END | M END | ||
Revision as of 15:16, 8 June 2009
<CAS_ID> 58-61-7 <KEGG_ID> C00212 <NAME> Adenosin <FORMULA> C10H13N5O4 <EXACTMASS> 267.096753929 <AVERAGEMASS> 267.24152 <SMILES> OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 <COPYRIGHT> ARM PROJECT http://www.metabolome.jp/
19 21 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 N 0 0 0 2 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 1 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0
3.0718 -2.0092 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.8981 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0
11 9 1 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
12 11 1 0 0 0 0
11 18 1 6 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
12 13 1 0 0 0 0
12 16 1 1 0 0 0
14 18 1 6 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
13 17 1 1 0 0 0
14 15 1 0 0 0 0
6 1 2 0 0 0 0
6 10 1 0 0 0 0
5 7 1 0 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
15 19 1 0 0 0 0
S SKP 5
ID KOX00004
FORMULA C10H13N5O4
EXACTMASS 267.096753929
AVERAGEMASS 267.24152
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
M END
