Mol:BMSUM6He--04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 16 0 0 1 0 0 0 0 0999 V2000
4.1160 0.4614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2500 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2500 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1160 -1.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9820 -1.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9820 -0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9081 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 1.5441 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3839 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 -2.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8480 -1.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8480 0.4614 0.0000 O 0 0 0 0 0 0 0 0 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
5 6 1 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
1 7 1 1 0 0 0
3 12 1 1 0 0 0
5 14 1 1 0 0 0
6 15 1 6 0 0 0
4 13 1 6 0 0 0
7 9 1 0 0 0 0
9 11 1 0 0 0 0
9 10 2 0 0 0 0
2 8 1 1 0 0 0
9 8 1 0 0 0 0
S SKP 7
ID BMSUM6He--04
NAME 1D-myo-Inositol 1,2-cyclic phosphate
FORMULA C6H11O8P
EXACTMASS 242.0191
AVERAGEMASS 242.1205
SMILES O[C@@H]([C@H](O)2)[C@@H](O)[C@H](O1)[C@@H]([C@H](O)2)OP(O)(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04299
M END
