Mol:BMCCPPPY0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 0 0 0 0 0 0999 V2000
3.2321 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4131 3.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1863 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0274 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
8 13 1 0 0 0 0
8 14 2 0 0 0 0
7 8 1 0 0 0 0
4 9 1 0 0 0 0
10 15 1 0 0 0 0
10 16 2 0 0 0 0
9 10 1 0 0 0 0
5 11 1 0 0 0 0
11 12 1 0 0 0 0
S SKP 7
ID BMCCPPPY0004
NAME Porphobilinogen
FORMULA C10H14N2O4
EXACTMASS 226.0953
AVERAGEMASS 226.2292
SMILES NCc(n1)c(CC(O)=O)c(CCC(O)=O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00931
M END
