Mol:BMMCBZ3So047
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
− | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
− | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
− | 12 10 1 0 0 0 0 | + | 12 10 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 13 2 0 0 0 0 | + | 9 13 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCBZ3So047 | + | ID BMMCBZ3So047 |
− | NAME Coniferyl aldehyde | + | NAME Coniferyl aldehyde |
− | FORMULA C10H10O3 | + | FORMULA C10H10O3 |
− | EXACTMASS 178.0629 | + | EXACTMASS 178.0629 |
− | AVERAGEMASS 178.1846 | + | AVERAGEMASS 178.1846 |
− | SMILES O=CC=Cc(c1)cc(OC)c(O)c1 | + | SMILES O=CC=Cc(c1)cc(OC)c(O)c1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02666 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02666 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 0 0 0 0 0 0999 V2000 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 7 1 0 0 0 0 4 11 1 0 0 0 0 3 12 1 0 0 0 0 12 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 S SKP 7 ID BMMCBZ3So047 NAME Coniferyl aldehyde FORMULA C10H10O3 EXACTMASS 178.0629 AVERAGEMASS 178.1846 SMILES O=CC=Cc(c1)cc(OC)c(O)c1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02666 M END