Mrv1652306242117273D 40 41 0 0 0 0 999 V2000 -0.9217 2.1010 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 1.5504 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 2.3623 0.6007 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1300 1.3632 1.0938 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3053 0.1907 0.1558 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0468 -0.6499 0.0477 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0905 -1.6924 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -1.3503 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 0.2523 0.1838 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4550 -0.3666 -0.2242 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7543 -0.6266 -1.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 0.1421 -0.8140 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9509 -0.4642 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 -1.8729 -0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 0.3498 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -0.0620 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -1.2495 0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 0.8133 1.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 1.6039 -2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 3.0828 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 2.7040 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 3.2202 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.9067 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 1.0251 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -0.4548 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 0.5418 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 -1.5124 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 -1.7231 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -2.7157 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 -0.6623 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 -2.0683 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 -1.9623 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 0.3785 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.3557 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 1.1328 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -2.4370 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -2.0350 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 -2.4486 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 1.4137 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 1.5748 1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 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 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 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 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 9 2 1 0 0 0 0 12 10 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 1 0 0 0 10 34 1 1 0 0 0 12 35 1 6 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 18 40 1 0 0 0 0 M END > NP0016374 > NP-MRD > [H]OC(=O)C(\[H])=C(/C([H])([H])[H])[C@@]1([H])O[C@]1([H])[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H22O3/c1-9-6-5-7-15(3,4)12(9)14-13(18-14)10(2)8-11(16)17/h8,12-14H,1,5-7H2,2-4H3,(H,16,17)/b10-8+/t12-,13-,14-/m1/s1 > WXSWBWVLEUINTC-ORCBZGKNSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 28.040882248978676 > 1 > 1 > 0 > 1 > (2E)-3-[(2R,3R)-3-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]oxiran-2-yl]but-2-enoic acid > 2.91 > 3.1140308726666666 > -3.40 > 0 > 2 > -1 > 4.919153270176799 > -4.239006883608322 > 49.83 > 70.23899999999999 > 3 > 1 > 1.00e-01 g/l > (2E)-3-[(2R,3R)-3-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]oxiran-2-yl]but-2-enoic acid > 0 > NP0016374 > Phellidene E $$$$