Mol:BMMCBZ2OS601
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
1 14 1 0 0 0 0
5 4 1 0 0 0 0
2 15 1 1 0 0 0
4 3 1 0 0 0 0
5 6 1 0 0 0 0
4 17 1 1 0 0 0
6 19 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 18 1 6 0 0 0
3 16 1 6 0 0 0
5 18 1 6 0 0 0
14 8 1 0 0 0 0
12 7 2 0 0 0 0
7 13 1 0 0 0 0
7 8 1 0 0 0 0
13 20 1 0 0 0 0
S SKP 7
ID BMMCBZ2OS601
NAME Salicin
FORMULA C13H18O7
EXACTMASS 286.1052
AVERAGEMASS 286.2778
SMILES OCc(c2)c(ccc2)O[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01451
M END
