Mol:BMMCBZ2Og009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 0 0 0 0 0 0999 V2000
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 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
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 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
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 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
7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 8 2 0 0 0 0
7 17 1 0 0 0 0
7 12 1 0 0 0 0
8 9 1 0 0 0 0
8 18 1 0 0 0 0
17 6 1 0 0 0 0
12 11 2 0 0 0 0
9 10 2 0 0 0 0
6 5 1 0 0 0 0
6 16 2 0 0 0 0
5 4 2 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
2 15 1 0 0 0 0
1 14 1 0 0 0 0
1 13 2 0 0 0 0
11 10 1 0 0 0 0
S SKP 7
ID BMMCBZ2Og009
NAME 2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoic acid
FORMULA C12H10O6
EXACTMASS 250.0477
AVERAGEMASS 250.2042
SMILES OC(=O)C(O)=CC=CC(=O)Oc(c1)c(O)ccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07734
M END
