Mrv1533004161503312D 18 20 0 0 0 0 999 V2000 5.2649 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 0.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 0.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7959 1.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 10 17 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > NP0290159 > NP-MRD > CC(C)(O)C(O)C(O)CC1(C)C2CC3C(C2)C13C > InChI=1S/C15H26O3/c1-13(2,18)12(17)11(16)7-14(3)8-5-9-10(6-8)15(9,14)4/h8-12,16-18H,5-7H2,1-4H3 > FSIJVKIIIQJXQX-UHFFFAOYSA-N > C15H26O3 > 254.37 > 254.188194697 > 3 > 44 > 28.990276994698405 > 1 > 3 > 0 > 1 > 1-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-4-methylpentane-2,3,4-triol > 1.68 > 0.8858157686666653 > -2.36 > 0 > 3 > 0 > 14.680123984820561 > 13.026954413044962 > -3.1253318789719557 > 60.69 > 69.4035 > 4 > 1 > 1.12e+00 g/l > 1-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-4-methylpentane-2,3,4-triol > 0 > NP0290159 > 1-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-4-methylpentane-2,3,4-triol $$$$