Mol:BMSUM6He--13
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
5.4641 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 1 0 0 0
3 9 1 1 0 0 0
5 19 1 1 0 0 0
6 20 1 6 0 0 0
2 8 1 1 0 0 0
4 14 1 6 0 0 0
18 15 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
13 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMSUM6He--13
NAME 1D-myo-Inositol 3,4-bisphosphate
FORMULA C6H14O12P2
EXACTMASS 339.996
AVERAGEMASS 340.1156
SMILES O[C@@H]([C@H](O)1)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04063
M END
</pre>
