Mol:BMMCHC--k031
From Metabolomics.JP
<pre>
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
</pre>
