Mol:BMMCHC--k031
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 14 0 0 1 0 0 0 0 0999 V2000 | + | 14 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 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 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 3 14 1 6 0 0 0 | + | 3 14 1 6 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k031 | + | ID BMMCHC--k031 |
| − | NAME Proclavaminic acid | + | NAME Proclavaminic acid |
| − | FORMULA C8H14N2O4 | + | FORMULA C8H14N2O4 |
| − | EXACTMASS 202.0953 | + | EXACTMASS 202.0953 |
| − | AVERAGEMASS 202.2078 | + | AVERAGEMASS 202.2078 |
| − | SMILES NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1 | + | SMILES NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06658 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06658 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
2 1 1 6 0 0 0
3 4 1 0 0 0 0
1 13 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
2 6 1 0 0 0 0
1 12 2 0 0 0 0
2 3 1 0 0 0 0
9 10 1 0 0 0 0
3 14 1 6 0 0 0
10 6 1 0 0 0 0
8 11 2 0 0 0 0
S SKP 7
ID BMMCHC--k031
NAME Proclavaminic acid
FORMULA C8H14N2O4
EXACTMASS 202.0953
AVERAGEMASS 202.2078
SMILES NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06658
M END
