Mol:BMCCID--k005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 15 0 0 1 0 0 0 0 0999 V2000
4.0878 0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.0878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6369 1.0000 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
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 9 1 0 0 0 0
4 5 1 0 0 0 0
5 13 1 0 0 0 0
6 14 1 0 0 0 0
5 6 2 0 0 0 0
2 10 1 0 0 0 0
6 7 1 0 0 0 0
10 12 1 0 0 0 0
7 8 2 0 0 0 0
10 11 2 0 0 0 0
S SKP 7
ID BMCCID--k005
NAME (2S) -5,6-Dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
CAS_RN 18766-67-1
FORMULA C9H9NO4
EXACTMASS 195.0531
AVERAGEMASS 195.1721
SMILES OC(=O)C(C1)Nc(c2)c(cc(O)c(O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05604
M END
