Mrv1652309042200242D 13 13 0 0 1 0 999 V2000 0.0000 2.4750 0.0000 C 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 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 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 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 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 0.0000 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 2 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 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 M END > NP0183495 > NP-MRD > CO[C@@H]1CO[C@H](O)[C@H](OC)[C@H]1OC > InChI=1S/C8H16O5/c1-10-5-4-13-8(9)7(12-3)6(5)11-2/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1 > AIVDIFJVLZSYIK-CWKFCGSDSA-N > C8H16O5 > 192.211 > 192.099773615 > 5 > 29 > 19.56066143217078 > 1 > 1 > 0 > 1 > (2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-ol > -0.37282476499999934 > 0 > 1 > 0 > 11.353981163954344 > -3.6031531818018867 > 57.150000000000006 > 44.2145 > 3 > 1 > (2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-ol > 0 > NP0183495 > (2s,3r,4s,5r)-3,4,5-trimethoxyoxan-2-ol $$$$