Mol:BMSUPnA0GG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
5.4641 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 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
3.7321 0.5000 0.0000 C 0 0 2 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
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
2.5495 -1.7456 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
5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 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
2.0000 0.5000 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
3.7321 2.5000 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
5.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 23 1 6 0 0 0
23 7 1 0 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
8 20 1 1 0 0 0
9 21 1 6 0 0 0
10 22 1 6 0 0 0
12 24 1 0 0 0 0
12 25 2 0 0 0 0
11 12 1 0 0 0 0
5 16 1 6 0 0 0
1 16 1 0 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
2 13 1 1 0 0 0
3 14 1 6 0 0 0
4 15 1 6 0 0 0
1 22 1 4 0 0 0
6 17 1 0 0 0 0
6 18 2 0 0 0 0
5 6 1 0 0 0 0
7 19 1 4 0 0 0
S SKP 7
ID BMSUPnA0GG01
NAME (1,4-D-Galacturonide)n
FORMULA C12H18O13
EXACTMASS 370.0747
AVERAGEMASS 370.2635
SMILES OC(=O)[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C1O[C@H]([C@H](O)2)[C@@H](C(O)=O)OC(O)[C@H](O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03816
M END
