Mol:BMMCACDEk002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 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 0.1340 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 | + | 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 | + | 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 -0.8660 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 | + | 4.5981 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 | + | 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 | + | 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 | + | 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 | + | 3.7321 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 | + | 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 | + | 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 | + | 5 4 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 2 12 1 4 0 0 0 | + | 2 12 1 4 0 0 0 |
| − | 1 11 1 4 0 0 0 | + | 1 11 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEk002 | + | ID BMMCACDEk002 |
| − | NAME 1, | + | NAME 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid |
| − | FORMULA C8H10O4 | + | CAS_RN 60463-01-6 |
| − | EXACTMASS 170.0579 | + | FORMULA C8H10O4 |
| − | AVERAGEMASS 170.1626 | + | EXACTMASS 170.0579 |
| − | SMILES CC(C=1)=CC(O)C(O)(C1)C(O)=O | + | AVERAGEMASS 170.1626 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06729 | + | 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 | M END | ||
| − | |||
Latest revision as of 15:20, 17 June 2010
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
