Mol:BMMCBZ2PS602
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 3 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 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 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
7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 18 1 6 0 0 0
12 19 1 0 0 0 0
11 10 1 0 0 0 0
14 1 1 0 0 0 0
7 14 1 4 0 0 0
10 9 1 0 0 0 0
11 12 1 0 0 0 0
9 8 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
9 16 1 6 0 0 0
4 13 1 0 0 0 0
8 7 1 0 0 0 0
19 20 1 0 0 0 0
8 15 1 1 0 0 0
20 23 1 0 0 0 0
7 18 1 0 0 0 0
20 21 1 0 0 0 0
10 17 1 1 0 0 0
20 22 2 0 0 0 0
S SKP 7
ID BMMCBZ2PS602
NAME Arbutin 6-phosphate
FORMULA C12H17O10P
EXACTMASS 352.0559
AVERAGEMASS 352.2311
SMILES Oc(c2)ccc(c2)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+C06187
M END
