Mol:BMMCBZ3SS601
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 19 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 19 1 0 0 0 0
5 6 1 0 0 0 0
6 20 1 0 0 0 0
3 17 1 6 0 0 0
1 24 1 6 0 0 0
4 18 1 1 0 0 0
2 16 1 1 0 0 0
12 7 2 0 0 0 0
12 11 1 0 0 0 0
11 10 2 0 0 0 0
10 9 1 0 0 0 0
9 8 2 0 0 0 0
8 7 1 0 0 0 0
7 13 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
10 24 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 21 1 0 0 0 0
S SKP 7
ID BMMCBZ3SS601
NAME Coniferin
FORMULA C16H22O8
EXACTMASS 342.1314
AVERAGEMASS 342.341
SMILES OCC=Cc(c2)cc(OC)c(c2)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+C00761
M END
