Mol:BMSUM6U0--11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
3.2601 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 0.5194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9511 -0.4316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7601 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5691 -0.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5691 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1261 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 0.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0691 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 11 1 6 0 0 0
5 4 1 0 0 0 0
11 2 1 0 0 0 0
4 3 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 7 1 0 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
4 10 1 6 0 0 0
3 9 1 6 0 0 0
2 8 1 4 0 0 0
6 13 2 0 0 0 0
S SKP 7
ID BMSUM6U0--11
NAME D-Tagaturonic acid
FORMULA C6H10O7
EXACTMASS 194.0426
AVERAGEMASS 194.1394
SMILES OCC(O)(O1)[C@@H](O)[C@@H](O)[C@@H](C(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00558
M END
