Mrv1652306242117193D 33 34 0 0 0 0 999 V2000 -4.1858 -0.2236 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.0139 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 -0.9399 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -0.7103 -0.4989 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0269 0.6797 -0.1362 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0910 1.5722 0.4005 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3135 1.3887 -0.5122 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5382 -0.4354 0.6303 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0266 -0.8244 1.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 -0.7441 0.4451 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5306 0.0534 -0.7110 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0041 -0.2417 -0.9406 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 0.0830 0.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4334 -1.2583 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 0.1606 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 0.4447 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -1.9805 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -1.2112 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 1.1623 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 1.3204 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 2.6085 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 1.4678 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 2.1591 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 -1.9484 2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 -0.5793 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 -0.4102 2.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -1.8313 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -0.5760 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 1.1533 -0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -0.1368 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 0.4526 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 -1.2843 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 0.6154 0.8290 H 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 6 0 0 0 5 19 1 6 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > NP0015451 > NP-MRD > [H]OC([H])([H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H] > InChI=1S/C12H20O/c1-9-4-5-10-11(8-9)12(10,2)6-3-7-13/h8,10-11,13H,3-7H2,1-2H3/t10-,11+,12+/m1/s1 > XLROWUDPZIGXMO-WOPDTQHZSA-N > C12H20O > 180.291 > 180.151415264 > 1 > 33 > 22.36356491646552 > 1 > 1 > 0 > 1 > 3-[(1S,6R,7S)-3,7-dimethylbicyclo[4.1.0]hept-2-en-7-yl]propan-1-ol > 2.56 > 2.254120159666667 > -2.83 > 0 > 2 > 0 > 16.763607960099833 > -2.027397878252331 > 20.23 > 55.853 > 3 > 1 > 2.67e-01 g/l > 3-[(1S,6R,7S)-3,7-dimethylbicyclo[4.1.0]hept-2-en-7-yl]propan-1-ol > 1 > NP0015451 > Eutypellol A $$$$