Mrv1652309032208102D 14 15 0 0 1 0 999 V2000 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6345 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 2 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 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 6 0 0 0 8 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 14 13 1 6 0 0 0 6 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0170098 > NP-MRD > C[C@@H]1[C@H]2C[C@H](O)[C@@](C)(O)C[C@H]2OC1=O > InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7-,8+,10+/m1/s1 > WMRLNPAAXAUOIO-BGJNVIQHSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.491800453663874 > 1 > 2 > 0 > 1 > (3R,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethyl-octahydro-1-benzofuran-2-one > 0.07 > -0.27638887933333334 > -0.06 > 0 > 2 > 0 > 15.073317287042535 > 13.685788618038725 > -3.2391926379616605 > 66.76 > 48.7214 > 0 > 1 > 1.73e+02 g/l > (3R,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethyl-hexahydro-1-benzofuran-2-one > 0 > NP0170098 > (3r,3ar,5s,6s,7ar)-5,6-dihydroxy-3,6-dimethyl-hexahydro-1-benzofuran-2-one $$$$