Mol:BMMCACDEk008
From Metabolomics.JP
(Difference between revisions)
| (2 intermediate revisions by one user not shown) | |||
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0 1 V2000 | + | 13 13 0 0 1 0 0 0 0 0 1 V2000 |
| − | 21.7716 -4.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.7716 -4.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.6198 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.6198 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.6198 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.6198 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.7716 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.7716 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.9234 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.9234 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.9234 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.9234 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.4680 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4680 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.4680 -8.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4680 -8.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.3161 -9.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.3161 -9.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.7716 -3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.7716 -3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.4680 -4.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4680 -4.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.1643 -8.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.1643 -8.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18.3161 -10.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.3161 -10.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 2 11 1 1 0 0 0 | + | 2 11 1 1 0 0 0 |
| − | 1 10 1 1 0 0 0 | + | 1 10 1 1 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 9 13 2 0 0 0 0 | + | 9 13 2 0 0 0 0 |
| − | S SKP | + | S SKP 8 |
| − | ID BMMCACDEk008 | + | ID BMMCACDEk008 |
| − | NAME | + | NAME 3- [(5S,6R) -5,6-Dihydroxycyclohexa-1,3-dien-1-yl] propanoic acid |
| − | FORMULA C9H12O4 | + | CAS_RN 78368-36-2 |
| − | EXACTMASS 184.0735 | + | AUTODRAW false |
| − | AVERAGEMASS 184.1891 | + | FORMULA C9H12O4 |
| − | SMILES OC(=O)CCC(=C1)C(O)C(O)C=C1 | + | EXACTMASS 184.0735 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11588 | + | AVERAGEMASS 184.1891 |
| + | SMILES OC(=O)CCC(=C1)C(O)C(O)C=C1 | ||
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11588 | ||
M END | M END | ||
| − | |||
Latest revision as of 15:23, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 1 0 0 0 0 0 1 V2000 21.7716 -4.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6198 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6198 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7716 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9234 -6.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9234 -5.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 -8.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3161 -9.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7716 -3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 -4.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1643 -8.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3161 -10.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 2 11 1 1 0 0 0 1 10 1 1 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 S SKP 8 ID BMMCACDEk008 NAME 3- [(5S,6R) -5,6-Dihydroxycyclohexa-1,3-dien-1-yl] propanoic acid CAS_RN 78368-36-2 AUTODRAW false FORMULA C9H12O4 EXACTMASS 184.0735 AVERAGEMASS 184.1891 SMILES OC(=O)CCC(=C1)C(O)C(O)C=C1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11588 M END
