Mrv1652309092221592D 18 19 0 0 1 0 999 V2000 -1.6425 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7686 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2250 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -2.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 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 15 17 1 0 0 0 0 15 18 1 0 0 0 0 4 18 1 0 0 0 0 M END > NP0289681 > NP-MRD > C[C@@H]1[C@H](O)CCC(C)(C)OC2=C1C=C(O)C(C)=C2 > InChI=1S/C15H22O3/c1-9-7-14-11(8-13(9)17)10(2)12(16)5-6-15(3,4)18-14/h7-8,10,12,16-17H,5-6H2,1-4H3/t10-,12+/m0/s1 > AGFRLVLITCCIDO-CMPLNLGQSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 28.18536915834583 > 1 > 2 > 0 > 1 > (5R,6S)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocine-5,8-diol > 3.0744311116666667 > 0 > 2 > 0 > 14.818037597902052 > 10.296704472971063 > -2.8902247071275013 > 49.69 > 71.85400000000001 > 0 > 1 > (5R,6S)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-5,8-diol > 0 > NP0289681 > (5r,6s)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-5,8-diol $$$$