Mrv1652309032207292D 14 15 0 0 1 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1726 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -1.0637 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 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 6 0 0 0 M END > NP0169520 > NP-MRD > C[C@@H]1[C@H]2C[C@H](O)[C@@](C)(O)[C@H]2COC1=O > InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)7(6)4-14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7+,8+,10+/m1/s1 > RPOWAISXPHIEJS-XAVNFNALSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.427588389594018 > 1 > 2 > 0 > 1 > (4R,4aS,6S,7S,7aR)-6,7-dihydroxy-4,7-dimethyl-octahydrocyclopenta[c]pyran-3-one > 0.06 > -0.3695478046666666 > -0.03 > 0 > 2 > 0 > 14.97591102101051 > 13.558588737611295 > -3.2412559311393583 > 66.76 > 48.873 > 0 > 1 > 1.88e+02 g/l > (4R,4aS,6S,7S,7aR)-6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[c]pyran-3-one > 0 > NP0169520 > (4r,4as,6s,7s,7ar)-6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[c]pyran-3-one $$$$