Mol:BMSUPnA0MM01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
4.5981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 -1.2500 0.0000 C 0 0 2 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 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 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 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.2500 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
7.1962 0.7500 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
5 16 1 1 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 6 1 0 0 0 0
3 14 1 1 0 0 0
2 13 1 1 0 0 0
4 15 1 6 0 0 0
6 17 1 0 0 0 0
11 22 1 1 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 22 1 0 0 0 0
11 12 1 0 0 0 0
9 20 1 1 0 0 0
8 19 1 1 0 0 0
10 21 1 6 0 0 0
12 23 1 0 0 0 0
7 18 1 4 0 0 0
1 21 1 4 0 0 0
S SKP 7
ID BMSUPnA0MM01
NAME 1,4-D-Mannan
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)C1O[C@H]([C@@H](CO)2)[C@H](O)[C@H](O)C(O)O2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02492
M END
