Mol:BMSUM6He--01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 36 0 0 1 0 0 0 0 0999 V2000 6.6162 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7502 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7502 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6162 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4822 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4822 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6162 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -1.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 3 4 1 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 4 22 1 6 0 0 0 6 32 1 6 0 0 0 3 17 1 1 0 0 0 2 12 1 1 0 0 0 1 7 1 1 0 0 0 28 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 27 1 0 0 0 0 32 33 1 0 0 0 0 33 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 20 18 1 0 0 0 0 18 21 1 0 0 0 0 18 17 1 0 0 0 0 18 19 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 15 13 1 0 0 0 0 13 14 1 0 0 0 0 13 12 1 0 0 0 0 13 16 2 0 0 0 0 5 27 1 1 0 0 0 26 23 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 S SKP 7 ID BMSUM6He--01 NAME 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate FORMULA C6H18O24P6 EXACTMASS 659.8613 AVERAGEMASS 660.0352 SMILES OP(O)(=O)O[C@H]([C@H](OP(O)(O)=O)1)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01204 M END
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