Mol:BMCCCC--k017
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
− | 0.7862 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7862 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7793 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7793 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0138 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0138 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4379 0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4483 -2.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4483 -2.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9966 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9966 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2310 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2310 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0069 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0069 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6690 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6690 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6724 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6724 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2241 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2241 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4552 0.5069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4552 0.5069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2345 2.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2345 2.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7759 2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7759 2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8931 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8931 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8931 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8931 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4483 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4483 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1172 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1172 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9000 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9000 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1172 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1172 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6793 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6793 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1310 2.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1310 2.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
− | 1 4 2 0 0 0 0 | + | 1 4 2 0 0 0 0 |
− | 2 5 1 0 0 0 0 | + | 2 5 1 0 0 0 0 |
− | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
− | 3 7 2 0 0 0 0 | + | 3 7 2 0 0 0 0 |
− | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
− | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
− | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
− | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
− | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
− | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
− | 8 14 2 0 0 0 0 | + | 8 14 2 0 0 0 0 |
− | 9 15 2 0 0 0 0 | + | 9 15 2 0 0 0 0 |
− | 10 16 2 0 0 0 0 | + | 10 16 2 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
− | 19 22 2 0 0 0 0 | + | 19 22 2 0 0 0 0 |
− | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCCC--k017 | + | ID BMCCCC--k017 |
− | NAME Cinnavalininic acid | + | NAME Cinnavalininic acid |
− | FORMULA C14H8N2O6 | + | FORMULA C14H8N2O6 |
− | EXACTMASS 300.0382 | + | EXACTMASS 300.0382 |
− | AVERAGEMASS 300.2232 | + | AVERAGEMASS 300.2232 |
− | SMILES OC(=O)c(c3)c(N=1)c(cc3)Oc(c2)c1c(C(O)=O)c(N)c(=O)2 | + | SMILES OC(=O)c(c3)c(N=1)c(cc3)Oc(c2)c1c(C(O)=O)c(N)c(=O)2 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05640 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05640 |
M END | M END | ||
− |
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 0.7862 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -2.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9966 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2241 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 0.5069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 2.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -2.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 2.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 18 20 2 0 0 0 0 S SKP 7 ID BMCCCC--k017 NAME Cinnavalininic acid FORMULA C14H8N2O6 EXACTMASS 300.0382 AVERAGEMASS 300.2232 SMILES OC(=O)c(c3)c(N=1)c(cc3)Oc(c2)c1c(C(O)=O)c(N)c(=O)2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05640 M END