Mol:BMACIZANr002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
2.3090 1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1180 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 -1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6180 -1.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6180 0.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 5 1 0 0 0 0
3 10 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 9 1 1 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMACIZANr002
NAME N(pai)-Methyl-L-histidine
FORMULA C7H11N3O2
EXACTMASS 169.0851
AVERAGEMASS 169.1812
SMILES N[C@@H](Cc(c1)n(C)cn1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01152
M END
