Mol:BMCCCC--k017
From Metabolomics.JP
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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 | + | NAME 2-Amino-3-oxophenoxazine-1,9-dicarboxylic acid |
| − | FORMULA C14H8N2O6 | + | CAS_RN 606-59-7 |
| − | EXACTMASS 300.0382 | + | FORMULA C14H8N2O6 |
| − | AVERAGEMASS 300.2232 | + | EXACTMASS 300.0382 |
| − | SMILES OC(=O)c(c3)c(N=1)c(cc3)Oc(c2)c1c(C(O)=O)c(N)c(=O)2 | + | AVERAGEMASS 300.2232 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05640 | + | 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 | M END | ||
| − | |||
Latest revision as of 17:33, 11 June 2010
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 2-Amino-3-oxophenoxazine-1,9-dicarboxylic acid
CAS_RN 606-59-7
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
