Mol:BMSUPnA0AA01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 1 0 0 0 0 0999 V2000
9.3842 -0.3252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.6932 0.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6932 0.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0022 -0.3252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.9533 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9651 -2.8724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.6561 -1.9214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4651 -1.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2742 -1.9214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2252 -1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.7564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.6637 0.3497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 1.0928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4945 1.9589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0878 2.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1054 1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2810 1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1932 -0.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1612 -1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3773 -3.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7051 -1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4651 -0.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9651 -2.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 -0.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 1.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 3.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4331 -0.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
1 18 1 4 0 0 0
4 18 1 6 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
4 5 1 0 0 0 0
2 16 1 6 0 0 0
1 28 1 0 0 0 0
3 17 1 1 0 0 0
7 6 1 0 0 0 0
6 23 1 0 0 0 0
9 23 1 6 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
9 10 1 0 0 0 0
7 21 1 6 0 0 0
6 20 1 4 0 0 0
8 22 1 1 0 0 0
10 28 1 0 0 0 0
12 11 1 0 0 0 0
11 26 1 4 0 0 0
14 26 1 6 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
14 15 1 0 0 0 0
12 24 1 6 0 0 0
11 22 1 0 0 0 0
13 25 1 1 0 0 0
15 27 1 0 0 0 0
5 19 1 0 0 0 0
S SKP 7
ID BMSUPnA0AA01
NAME Arabinan
FORMULA C15H26O13
EXACTMASS 414.1373
AVERAGEMASS 414.3591
SMILES OC[C@H](O1)[C@H](O)[C@@H](O)C(OC[C@H](O2)[C@H](OC(O3)[C@H](O)[C@@H](O)[C@H](CO)3)[C@@H](O)C(O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02474
M END
