Mrv0541 08131208492D 22 22 0 0 0 0 999 V2000 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 1.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 6 0 0 0 4 10 1 1 0 0 0 5 11 1 1 0 0 0 15 6 1 0 0 0 0 16 12 1 0 0 0 0 16 13 1 0 0 0 0 16 14 2 0 0 0 0 16 15 1 0 0 0 0 17 1 1 0 0 0 0 2 18 1 6 0 0 0 3 19 1 1 0 0 0 4 20 1 6 0 0 0 5 21 1 6 0 0 0 22 6 1 0 0 0 0 M END > M2MDB000335 > M2MDB > [H]C1(O)[C@]([H])(O)[C@]([H])(O)C([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O > InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3-,4-,5+,6?/m0/s1 > INAPMGSXUVUWAF-GFWFORPUSA-N > C6H13O9P > 260.1358 > 260.029718526 > 8 > 20.563720208587796 > 1 > 7 > 0 > 0 > {[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid > -1.98 > -3.9055756833333333 > -0.82 > 0 > 1 > -2 > 6.194111788919008 > 1.1625722061585537 > -3.645813019693807 > 167.91 > 46.64789999999999 > 2 > 0 > 3.95e+01 g/l > [(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid > 0 > ECMDB01313 > D-Myo-inositol 4-phosphate $$$$