Mol:BMMCBZ4Sk008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0 0 0 0
5 6 1 0 0 0 0
5 4 2 0 0 0 0
3 4 1 0 0 0 0
3 2 2 0 0 0 0
1 2 1 0 0 0 0
1 7 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
2 11 1 0 0 0 0
6 8 1 0 0 0 0
4 12 1 0 0 0 0
S SKP 7
ID BMMCBZ4Sk008
NAME o-Orsellinic acid
FORMULA C8H8O4
EXACTMASS 168.0422
AVERAGEMASS 168.1467
SMILES Oc(c1)cc(O)c(C(O)=O)c(C)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01839
M END
