Mol:BMCCCC--k006
From Metabolomics.JP
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Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 0 0 0 0 0 0999 V2000
2.6691 1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9344 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6557 -1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -2.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9266 -2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9266 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0605 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1945 -2.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 2.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3164 2.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6557 -1.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 5 1 0 0 0 0
12 13 2 0 0 0 0
12 11 1 0 0 0 0
5 6 1 0 0 0 0
5 4 2 0 0 0 0
13 7 1 0 0 0 0
13 8 1 0 0 0 0
11 10 2 0 0 0 0
6 17 2 0 0 0 0
4 3 1 0 0 0 0
8 9 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
2 16 1 0 0 0 0
1 14 1 0 0 0 0
1 15 2 0 0 0 0
6 7 1 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMCCCC--k006
NAME 2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)-but-2-enoic acid
FORMULA C13H10O4
EXACTMASS 230.0579
AVERAGEMASS 230.2161
SMILES OC(=O)C(O)=CC=C(C(=O)1)c(c2)c(ccc2)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07725
M END
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