Mol:BMCCCC--k021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 15 0 0 1 0 0 0 0 0999 V2000 | + | 14 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.9928 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9928 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4050 0.4123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.4050 0.4123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.7141 -0.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.7141 -0.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.6651 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6651 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8730 -1.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8730 -1.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4050 0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4050 0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8241 -2.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8241 -2.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4540 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4540 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1450 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1450 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0960 -0.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.0960 -0.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.9874 1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9874 1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5861 2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5861 2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9050 -1.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9050 -1.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 0 0 0 |
| − | 3 14 1 1 0 0 0 | + | 3 14 1 1 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--k021 | + | ID BMCCCC--k021 |
| − | NAME Dihydro-clavaminic acid | + | NAME Dihydro-clavaminic acid |
| − | FORMULA C8H12N2O4 | + | FORMULA C8H12N2O4 |
| − | EXACTMASS 200.0797 | + | EXACTMASS 200.0797 |
| − | AVERAGEMASS 200.1919 | + | AVERAGEMASS 200.1919 |
| − | SMILES NCC[C@@H](O1)[C@@H](C(O)=O)N(C(=O)2)[C@H](C2)1 | + | SMILES NCC[C@@H](O1)[C@@H](C(O)=O)N(C(=O)2)[C@H](C2)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06659 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06659 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 15 0 0 1 0 0 0 0 0999 V2000
4.9928 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4050 0.4123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7141 -0.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6651 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8730 -1.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4050 0.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8241 -2.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1450 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0960 -0.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9874 1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5861 2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 -1.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 0 0 0 0
8 9 1 0 0 0 0
8 13 2 0 0 0 0
9 10 1 0 0 0 0
3 4 1 0 0 0 0
6 8 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
6 10 1 0 0 0 0
10 14 1 1 0 0 0
2 1 1 6 0 0 0
3 14 1 1 0 0 0
1 11 1 0 0 0 0
3 2 1 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMCCCC--k021
NAME Dihydro-clavaminic acid
FORMULA C8H12N2O4
EXACTMASS 200.0797
AVERAGEMASS 200.1919
SMILES NCC[C@@H](O1)[C@@H](C(O)=O)N(C(=O)2)[C@H](C2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06659
M END
