Mol:BMMCHC--k012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 8 0 0 0 0 0 0 0 0999 V2000
3.3090 1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
S SKP 7
ID BMMCHC--k012
NAME 2-Furoic acid
FORMULA C5H4O3
EXACTMASS 112.016
AVERAGEMASS 112.0834
SMILES OC(=O)c(c1)occ1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01546
M END
