Mol:BMSUPnA0FF01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 1 0 0 0 0 0999 V2000
2.3090 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -1.3936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.9511 -2.3446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7601 -2.9324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5691 -2.3446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5201 -2.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 2.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 2.6453 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.6261 2.6453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3171 1.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1261 1.1064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1261 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 -0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -0.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 -1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -1.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7851 3.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 3.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 3.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9351 1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 17 1 6 0 0 0
5 4 1 0 0 0 0
2 17 1 4 0 0 0
4 3 1 0 0 0 0
2 3 1 0 0 0 0
5 6 1 0 0 0 0
6 18 1 0 0 0 0
2 1 1 0 0 0 0
3 15 1 6 0 0 0
4 16 1 1 0 0 0
1 13 1 0 0 0 0
2 14 1 0 0 0 0
14 12 1 0 0 0 0
11 12 1 0 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 23 1 0 0 0 0
11 23 1 6 0 0 0
8 20 1 4 0 0 0
8 7 1 0 0 0 0
7 19 1 0 0 0 0
9 21 1 6 0 0 0
10 22 1 1 0 0 0
S SKP 7
ID BMSUPnA0FF01
NAME Levan
FORMULA C12H22O11
EXACTMASS 342.1162
AVERAGEMASS 342.2964
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)C(CO)(OC[C@@H](O2)[C@@H](O)[C@H](O)C(O)(CO)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01355
M END
