Mol:BMCCID--q004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 12 0 0 0 0 0 0 0 0999 V2000
4.3794 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3849 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4533 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4533 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8849 -1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
9 4 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
2 11 1 0 0 0 0
S SKP 7
ID BMCCID--q004
NAME 1H-Indole-2,3-diol
CAS_RN 5638-85-7
FORMULA C8H7NO2
EXACTMASS 149.0476
AVERAGEMASS 149.1467
SMILES Oc(n1)c(O)c(c2)c(ccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02775
M END
