Mol:BMMCHC--k003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 1 0 0 0 0 0999 V2000
2.0570 0.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
1 2 2 0 0 0 0
3 4 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
5 4 1 1 0 0 0
5 1 1 0 0 0 0
S SKP 7
ID BMMCHC--k003
NAME (2S) -3,4-Dihydro-2H-pyrrole-2-carboxylic acid
CAS_RN 64199-88-8
FORMULA C5H7NO2
EXACTMASS 113.0476
AVERAGEMASS 113.1146
SMILES OC(=O)[C@H](C1)N=CC1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03912
M END
