Mol:BMACID--r003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 17 0 0 1 0 0 0 0 0999 V2000 | + | 16 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0000 -1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4752 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4752 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6092 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6092 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0704 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0704 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7614 1.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7614 1.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.4305 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4305 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4742 2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4742 2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1215 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1215 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4087 2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4087 2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 15 12 2 0 0 0 0 | + | 15 12 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 13 1 6 0 0 0 | + | 11 13 1 6 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 1 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 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 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACID--r003 | + | ID BMACID--r003 |
| − | NAME L-2-Methyl-tryptophan | + | NAME L-2-Methyl-tryptophan |
| − | FORMULA C12H14N2O2 | + | FORMULA C12H14N2O2 |
| − | EXACTMASS 218.1055 | + | EXACTMASS 218.1055 |
| − | AVERAGEMASS 218.2518 | + | AVERAGEMASS 218.2518 |
| − | SMILES CN[C@H](C(O)=O)Cc(c1)c(c2)c(ccc2)n1 | + | SMILES CN[C@H](C(O)=O)Cc(c1)c(c2)c(ccc2)n1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02983 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02983 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 1 0 0 0 0 0999 V2000
2.0000 -1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7614 1.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4305 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4742 2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1215 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4087 2.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 10 1 0 0 0 0
15 12 2 0 0 0 0
12 11 1 0 0 0 0
11 13 1 6 0 0 0
3 9 1 0 0 0 0
3 2 2 0 0 0 0
9 8 2 0 0 0 0
2 1 1 0 0 0 0
8 1 1 0 0 0 0
10 3 1 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
S SKP 7
ID BMACID--r003
NAME L-2-Methyl-tryptophan
FORMULA C12H14N2O2
EXACTMASS 218.1055
AVERAGEMASS 218.2518
SMILES CN[C@H](C(O)=O)Cc(c1)c(c2)c(ccc2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02983
M END
