Mol:BMCCID--l017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
7.6740 1.6328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6794 1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0158 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8819 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7479 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7479 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8819 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0158 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 1.1511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0158 -2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8819 -2.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6139 -1.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 8 2 0 0 0 0
9 3 1 0 0 0 0
9 4 1 0 0 0 0
8 7 1 0 0 0 0
8 1 1 0 0 0 0
3 2 2 0 0 0 0
3 10 1 0 0 0 0
4 5 2 0 0 0 0
7 6 2 0 0 0 0
10 11 1 0 0 0 0
5 16 1 0 0 0 0
6 17 1 0 0 0 0
11 12 1 0 0 0 0
16 15 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 18 2 0 0 0 0
1 2 1 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMCCID--l017
NAME 6-Hydroxy-melatonin
FORMULA C13H16N2O3
EXACTMASS 248.116
AVERAGEMASS 248.2778
SMILES COc(c1)c(O)cc(n2)c1c(CCNC(C)=O)c2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05643
M END
