Mol:BMSUPnA0CC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8301 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 16 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 16 1 0 0 0 0
5 6 1 0 0 0 0
4 15 1 1 0 0 0
3 14 1 6 0 0 0
2 13 1 1 0 0 0
1 20 1 4 0 0 0
6 17 1 0 0 0 0
9 20 1 6 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 22 1 6 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
10 21 1 1 0 0 0
8 19 1 1 0 0 0
7 18 1 4 0 0 0
11 12 1 0 0 0 0
12 23 1 0 0 0 0
S SKP 7
ID BMSUPnA0CC01
NAME 1,3-D-Glucan
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@@H](O)[C@H](OC(O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2)[C@@H](O)C(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00965
M END
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