Mol:KOX00637
From Metabolomics.JP
(Difference between revisions)
| Line 3: | Line 3: | ||
10 11 0 1 0 999 V2000 | 10 11 0 1 0 999 V2000 | ||
| − | -0.6348 1.2375 0.0000 C 0 0 | + | -0.6348 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.3492 0.8250 0.0000 C 0 0 | + | -1.3492 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.3492 0.0000 0.0000 C 0 0 | + | -1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.6348 -0.4125 0.0000 C 0 0 | + | -0.6348 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.0000 0.0000 C 0 0 | + | 0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.8250 0.0000 C 0 0 | + | 0.0797 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.8643 -0.2549 0.0000 C 0 0 | + | 0.8643 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.3492 0.4125 0.0000 C 0 0 | + | 1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.8643 1.0799 0.0000 N 0 0 | + | 0.8643 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | -0.6348 -1.2375 0.0000 N 0 0 | + | -0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 |
1 2 2 0 0 0 | 1 2 2 0 0 0 | ||
2 3 1 0 0 0 | 2 3 1 0 0 0 | ||
| Line 27: | Line 27: | ||
CAS_RN 5192-23-4 | CAS_RN 5192-23-4 | ||
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+null | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+null | ||
| − | NAME | + | NAME 4-Aminoindole |
ID KOX00637 | ID KOX00637 | ||
FORMULA C8H8N2 | FORMULA C8H8N2 | ||
EXACTMASS 132.068748266 | EXACTMASS 132.068748266 | ||
AVERAGEMASS 132.1626 | AVERAGEMASS 132.1626 | ||
| − | SMILES | + | SMILES Nc(c2)c(c1)c(cc2)nc1 |
M END | M END | ||
Latest revision as of 16:38, 11 June 2009
10 11 0 1 0 999 V2000
-0.6348 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3492 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3492 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
-0.6348 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0
0.0797 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0
0.0797 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0
0.8643 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0
1.3492 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0
0.8643 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0
-0.6348 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0
2 3 1 0 0 0
3 4 2 0 0 0
4 5 1 0 0 0
5 6 2 0 0 0
6 1 1 0 0 0
5 7 1 0 0 0
7 8 2 0 0 0
8 9 1 0 0 0
9 6 1 0 0 0
4 10 1 0 0 0
S SKP 8
CAS_RN 5192-23-4
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+null
NAME 4-Aminoindole
ID KOX00637
FORMULA C8H8N2
EXACTMASS 132.068748266
AVERAGEMASS 132.1626
SMILES Nc(c2)c(c1)c(cc2)nc1
M END
