Mol:BMMCACDEk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
3.7321 0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.3660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 11 1 4 0 0 0
2 3 1 0 0 0 0
2 12 1 4 0 0 0
3 4 2 0 0 0 0
3 8 1 0 0 0 0
4 5 1 0 0 0 0
1 7 1 0 0 0 0
5 6 2 0 0 0 0
7 10 1 0 0 0 0
6 1 1 0 0 0 0
7 9 2 0 0 0 0
S SKP 7
ID BMMCACDEk001
NAME (1R,6S) -1,6-Dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylic acid
CAS_RN 69016-53-1
FORMULA C8H10O4
EXACTMASS 170.0579
AVERAGEMASS 170.1626
SMILES CC(=C1)C(O)C(O)(C=C1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06720
M END
