Mol:BMCCID--k012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 15 0 0 0 0 0 0 0 0999 V2000
3.9563 1.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3685 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7734 -0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6394 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6394 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7734 1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9074 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9074 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5054 -0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 -1.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 4 2 0 0 0 0
9 8 1 0 0 0 0
8 1 1 0 0 0 0
1 2 1 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 12 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
7 8 2 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
S SKP 7
ID BMCCID--k012
NAME 5-Hydroxy-indole-acetic acid
FORMULA C10H9NO3
EXACTMASS 191.0582
AVERAGEMASS 191.1834
SMILES OC(=O)Cc(c1)c(c2)c(ccc(O)2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05635
M END
