Mol:BMAXS3AKe003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
2.8660 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 2.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15 10 1 0 0 0 0
10 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
6 14 1 6 0 0 0
5 13 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 12 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
7 9 1 0 0 0 0
7 8 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
S SKP 7
ID BMAXS3AKe003
NAME D-4'-Phospho-pantothenic acid
FORMULA C9H18NO8P
EXACTMASS 299.077
AVERAGEMASS 299.2149
SMILES OC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03492
M END
</pre>
