Mol:BMFYB4CAb017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
2.8660 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6830 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.4641 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 9 1 0 0 0 0
1 10 2 0 0 0 0
S SKP 7
ID BMFYB4CAb017
NAME Crotono-betaine
FORMULA C7H13NO2
EXACTMASS 143.0946
AVERAGEMASS 143.1836
SMILES OC(=O)[C+1]=CC[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11458
M END
