Mol:BMCCPTFLp006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 20 0 0 0 0 0 0 0 0999 V2000
3.7321 1.5000 0.0000 N 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 N 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 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 N 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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 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 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 13 1 0 0 0 0
14 9 1 0 0 0 0
9 8 2 0 0 0 0
14 13 2 0 0 0 0
13 5 1 0 0 0 0
5 12 2 0 0 0 0
11 10 2 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 11 1 0 0 0 0
4 18 2 0 0 0 0
2 17 2 0 0 0 0
8 16 1 0 0 0 0
7 15 1 0 0 0 0
S SKP 7
ID BMCCPTFLp006
NAME Lumichrome
FORMULA C12H10N4O2
EXACTMASS 242.0803
AVERAGEMASS 242.2335
SMILES Cc(c1)c(C)cc(n2)c1nc(C(=O)3)c(NC(=O)N3)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01727
M END
