Mrv1652306192121353D 26 27 0 0 0 0 999 V2000 -1.8093 -0.1901 -1.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -0.0642 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 -0.3294 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -0.1799 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -0.4624 2.8804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 0.2427 1.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.5202 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 0.3749 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 1.0059 0.4224 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4813 2.4288 0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 0.4940 1.6088 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6029 0.8733 2.9229 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1669 0.4073 2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 0.1989 4.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -0.9726 -1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -0.4633 -2.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 0.7594 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -0.6529 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -0.2960 3.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7747 0.6019 -1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 0.6642 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 2.7476 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -0.5978 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 0.9187 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 0.4025 3.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6172 1.9575 3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 6 4 2 0 0 0 0 4 3 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 7 1 0 0 0 0 13 14 2 0 0 0 0 4 5 1 0 0 0 0 2 8 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 10 1 0 0 0 0 3 18 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 6 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 5 19 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 10 22 1 0 0 0 0 M END > NP0027421 > NP-MRD > [H]OC1=C2C(=O)C([H])([H])C([H])([H])[C@]([H])(O[H])C2=C([H])C(=C1[H])C([H])([H])[H] > InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m0/s1 > JOCZVRFSKAUXRP-QMMMGPOBSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 19.976278426675087 > 1 > 2 > 0 > 1 > (4S)-4,8-dihydroxy-6-methyl-1,2,3,4-tetrahydronaphthalen-1-one > 0.88 > 1.9101696689999996 > -1.50 > 0 > 2 > 0 > 14.362800207143 > 8.697030268203376 > -3.13196006438619 > 57.53 > 52.8643 > 0 > 1 > 6.12e+00 g/l > (4S)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one > 0 > NP0027421 > (4S)-shinanolone $$$$