Mol:BMSUPnA0XX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 20 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 2 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.0000 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 3.0000 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
5.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 19 1 0 0 0 0
9 10 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 19 1 0 0 0 0
9 18 1 6 0 0 0
8 17 1 1 0 0 0
6 15 1 4 0 0 0
7 16 1 6 0 0 0
1 18 1 4 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 14 1 0 0 0 0
1 14 1 0 0 0 0
2 11 1 1 0 0 0
3 12 1 6 0 0 0
4 13 1 1 0 0 0
S SKP 7
ID BMSUPnA0XX01
NAME 1,4-D-Xylan
FORMULA C10H18O9
EXACTMASS 282.095
AVERAGEMASS 282.2445
SMILES O[C@H](C2)[C@H](O)[C@@H](O)C(O2)O[C@H](C1)[C@H](O)[C@@H](O)C(O)O1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02352
M END
</pre>
