Mol:BMMCACDEk002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
3.7321 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 8 1 0 0 0 0
4 3 2 0 0 0 0
1 7 1 0 0 0 0
3 2 1 0 0 0 0
7 10 2 0 0 0 0
2 1 1 0 0 0 0
7 9 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
2 12 1 4 0 0 0
1 11 1 4 0 0 0
S SKP 7
ID BMMCACDEk002
NAME 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
CAS_RN 60463-01-6
FORMULA C8H10O4
EXACTMASS 170.0579
AVERAGEMASS 170.1626
SMILES CC(C=1)=CC(O)C(O)(C1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06729
M END
