Mrv1652309092202332D 13 13 0 0 1 0 999 V2000 1.2448 1.8695 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 0.1842 1.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 1 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 1.4289 -0.0000 0.0000 C 0 0 1 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 -0.4125 0.0000 C 0 0 1 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 0.0000 0.0000 0.0000 C 0 0 2 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 0.0000 0.8250 0.0000 C 0 0 1 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 2 1 1 1 0 0 0 2 3 1 6 0 0 0 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 1 0 0 0 M END > NP0276433 > NP-MRD > C[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3/t2-,3-,4-,5+,6-,7-/m0/s1 > AJGYLNFUYLRZFR-GESKJZQWSA-N > C7H14O6 > 194.183 > 194.079038171 > 6 > 27 > 17.855727156943118 > 1 > 6 > 0 > 0 > (1S,2R,3S,4S,5S,6S)-1-methylcyclohexane-1,2,3,4,5,6-hexol > -3.5014329836666667 > 0 > 1 > 0 > 12.834529439464298 > 12.209454292579064 > -3.646228820237666 > 121.38000000000001 > 40.413199999999996 > 0 > 0 > (1S,2R,3S,4S,5S,6S)-1-methylcyclohexane-1,2,3,4,5,6-hexol > 0 > NP0276433 > (1s,2r,3s,4s,5s,6s)-1-methylcyclohexane-1,2,3,4,5,6-hexol $$$$