Mol:BMMCPYXXk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 6 0 0 0
6 1 1 0 0 0 0
6 7 1 0 0 0 0
5 4 1 0 0 0 0
1 2 1 0 0 0 0
7 11 1 0 0 0 0
7 10 2 0 0 0 0
4 3 1 0 0 0 0
4 9 2 0 0 0 0
2 8 2 0 0 0 0
2 3 1 0 0 0 0
S SKP 7
ID BMMCPYXXk001
NAME (S)-Dihydro-orotic acid
FORMULA C5H6N2O4
EXACTMASS 158.0327
AVERAGEMASS 158.1122
SMILES O=C(C1)NC(=O)N[C@@H]1C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00337
M END
