Mol:BMCCID--k023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 14 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
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
6 7 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
8 7 1 0 0 0 0
8 9 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 8 1 0 0 0 0
9 3 1 0 0 0 0
3 10 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
10 11 1 0 0 0 0
S SKP 7
ID BMCCID--k023
NAME Indole-3-acetic acid
FORMULA C10H9NO2
EXACTMASS 175.0633
AVERAGEMASS 175.184
SMILES OC(=O)Cc(c1)c(c2)c(ccc2)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00954
M END
