Mol:BMSUM6He--08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 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
6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.6340 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
5.0981 3.3660 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
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.3660 0.0000 O 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
3.3660 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -3.3660 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
6.8301 -1.6340 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
7.1962 1.0000 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
6 24 1 6 0 0 0
1 7 1 1 0 0 0
2 12 1 1 0 0 0
3 13 1 1 0 0 0
4 18 1 6 0 0 0
5 23 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 10 2 0 0 0 0
13 14 1 0 0 0 0
14 17 2 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
S SKP 7
ID BMSUM6He--08
NAME 1D-myo-Inositol 1,3,4-trisphosphate
FORMULA C6H15O15P3
EXACTMASS 419.9623
AVERAGEMASS 420.0955
SMILES O[C@H]([C@@H](O)1)[C@H](OP(O)(O)=O)[C@H]([C@@H](O)[C@H]1OP(O)(O)=O)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01243
M END
