Mol:BMMCBZ2Ok030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 0 0 0 0 0 0999 V2000
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
8 9 2 0 0 0 0
4 3 2 0 0 0 0
9 10 1 0 0 0 0
3 2 1 0 0 0 0
10 5 2 0 0 0 0
2 1 1 0 0 0 0
5 6 1 0 0 0 0
2 13 2 0 0 0 0
6 7 2 0 0 0 0
1 11 1 0 0 0 0
7 8 1 0 0 0 0
1 12 2 0 0 0 0
6 14 1 0 0 0 0
S SKP 7
ID BMMCBZ2Ok030
NAME (E) -4- (2-Hydroxyphenyl) -2-oxobut-3-enoic acid
CAS_RN 90293-62-2
FORMULA C10H8O4
EXACTMASS 192.0422
AVERAGEMASS 192.1681
SMILES OC(=O)C(=O)C=Cc(c1)c(O)ccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06203
M END
