Mol:BMACBZ--0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 0 0 0 0
1 2 2 0 0 0 0
11 9 1 0 0 0 0
2 3 1 0 0 0 0
9 8 1 0 0 0 0
3 4 2 0 0 0 0
8 7 1 0 0 0 0
7 1 1 0 0 0 0
4 5 1 0 0 0 0
9 12 2 0 0 0 0
5 6 2 0 0 0 0
8 10 1 1 0 0 0
S SKP 7
ID BMACBZ--0004
NAME D-Phenylalanine
FORMULA C9H11NO2
EXACTMASS 165.0789
AVERAGEMASS 165.1891
SMILES OC(=O)[C@H](N)Cc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02265
M END
