Mol:BMMCHC--k017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 6.3301 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7570 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7570 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1712 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1712 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7570 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7570 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 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 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 2 3 1 1 0 0 0 | + | 2 3 1 1 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 13 6 1 0 0 0 0 | + | 13 6 1 0 0 0 0 |
| − | 11 14 2 0 0 0 0 | + | 11 14 2 0 0 0 0 |
| − | 1 15 1 0 0 0 0 | + | 1 15 1 0 0 0 0 |
| − | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
| − | 1 16 2 0 0 0 0 | + | 1 16 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k017 | + | ID BMMCHC--k017 |
| − | NAME Deoxy-guanidino-proclavaminic acid | + | NAME Deoxy-guanidino-proclavaminic acid |
| − | FORMULA C9H16N4O3 | + | FORMULA C9H16N4O3 |
| − | EXACTMASS 228.1222 | + | EXACTMASS 228.1222 |
| − | AVERAGEMASS 228.2485 | + | AVERAGEMASS 228.2485 |
| − | SMILES NC(=N)NCCC[C@@H](C(O)=O)N(C1)C(=O)C1 | + | SMILES NC(=N)NCCC[C@@H](C(O)=O)N(C1)C(=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06656 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06656 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
6.3301 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7570 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1712 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
2 1 1 0 0 0 0
3 4 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 3 1 1 0 0 0
8 10 2 0 0 0 0
13 6 1 0 0 0 0
11 14 2 0 0 0 0
1 15 1 0 0 0 0
6 11 1 0 0 0 0
1 16 2 0 0 0 0
S SKP 7
ID BMMCHC--k017
NAME Deoxy-guanidino-proclavaminic acid
FORMULA C9H16N4O3
EXACTMASS 228.1222
AVERAGEMASS 228.2485
SMILES NC(=N)NCCC[C@@H](C(O)=O)N(C1)C(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06656
M END
