Mrv1652303192001473D 12 14 0 0 0 0 999 V2000 3.6649 0.0388 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 -1.0959 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0711 -1.1987 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 -1.1047 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 1.1379 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.1490 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 0.1087 0.2433 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4459 1.1524 -0.6574 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1767 0.1729 -0.0306 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1037 -0.0699 -0.0983 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4469 0.1954 -1.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 1.3338 0.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 M END > CDB000620 > CDB > C[C@@]1(CO1)[C@H]1CC[C@]2(C)O[C@@H]2C1 > InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1 > RBHIUNHSNSQJNG-QCLAVDOMSA-N > C10H16O2 > 168.236 > 168.115029755 > 2 > 28 > 18.656177469643616 > 1 > 0 > 0 > 1 > (1S,4S,6R)-1-methyl-4-[(2S)-2-methyloxiran-2-yl]-7-oxabicyclo[4.1.0]heptane > 1.44 > 1.3883096049999997 > -1.91 > 0 > 3 > 0 > -3.912317269692281 > 25.06 > 45.256 > 1 > 1 > 2.06e+00 g/l > (1S,4S,6R)-1-methyl-4-[(2S)-2-methyloxiran-2-yl]-7-oxabicyclo[4.1.0]heptane > 1 > CDB000620 > Limonene dioxide $$$$