Mol:BMSUD2A0GC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -1.2500 0.0000 C 0 0 2 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 2 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
5.4641 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 1 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
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
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 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
10 21 1 1 0 0 0
9 20 1 6 0 0 0
8 19 1 1 0 0 0
12 23 1 0 0 0 0
7 18 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 22 1 6 0 0 0
22 7 1 0 0 0 0
11 12 1 0 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 16 1 0 0 0 0
5 16 1 6 0 0 0
3 14 1 6 0 0 0
4 15 1 6 0 0 0
5 6 1 0 0 0 0
6 17 1 0 0 0 0
2 13 1 1 0 0 0
1 23 1 1 0 0 0
S SKP 7
ID BMSUD2A0GC02
NAME (3R,4S,5S,6R) -6- [ [(2S,3R,4S,5R,6R) -3,4,5-Trihydroxy-6- (hydroxymethyl) oxan-2-yl] oxymethyl] oxane-2,3,4,5-tetrol
CAS_RN 585-99-9
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O2)[C@@H](O)[C@H](O)[C@@H](O)C(O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05402
M END
