Mol:BMMCBZ2PS603
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 1 0 0 0 0 0999 V2000
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 1 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
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 19 1 6 0 0 0
11 18 1 1 0 0 0
12 11 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
10 17 1 6 0 0 0
2 7 1 0 0 0 0
11 10 1 0 0 0 0
7 14 1 0 0 0 0
9 16 1 1 0 0 0
12 13 1 0 0 0 0
10 9 1 0 0 0 0
13 20 1 0 0 0 0
8 15 1 4 0 0 0
20 21 1 0 0 0 0
9 8 1 0 0 0 0
21 22 1 0 0 0 0
15 1 1 0 0 0 0
21 23 1 0 0 0 0
8 19 1 0 0 0 0
21 24 2 0 0 0 0
S SKP 7
ID BMMCBZ2PS603
NAME Salicin 6-phosphate
FORMULA C13H19O10P
EXACTMASS 366.0715
AVERAGEMASS 366.2577
SMILES OCc(c2)c(ccc2)OC(O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06188
M END
</pre>
