Mol:BMAXS2AKt002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 19 0 0 0 0 0 0 0 0999 V2000
5.8615 2.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2737 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5446 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8126 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5525 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 -1.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -1.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -2.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4106 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9052 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -2.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
9 3 1 0 0 0 0
4 5 1 0 0 0 0
5 15 1 0 0 0 0
3 10 1 0 0 0 0
5 6 2 0 0 0 0
10 11 1 0 0 0 0
6 7 1 0 0 0 0
11 16 2 0 0 0 0
7 8 2 0 0 0 0
11 12 1 0 0 0 0
9 4 2 0 0 0 0
12 13 1 0 0 0 0
9 8 1 0 0 0 0
13 14 1 0 0 0 0
8 1 1 0 0 0 0
14 17 1 0 0 0 0
1 2 1 0 0 0 0
14 18 2 0 0 0 0
S SKP 7
ID BMAXS2AKt002
NAME 2- [ [2- (5-Hydroxy-1H-indol-3-yl) acetyl] amino] acetic acid
CAS_RN 16606-62-5
FORMULA C12H12N2O4
EXACTMASS 248.0797
AVERAGEMASS 248.2347
SMILES OC(=O)CNC(=O)Cc(c1)c(c2)c(ccc(O)2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05832
M END
