Mrv1652309032223312D 14 14 0 0 0 0 999 V2000 3.5724 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 C 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 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 6 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > NP0182738 > NP-MRD > CC1CCCC(C)(C)C1=C=CC(C)=O > InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7,10H,5-6,9H2,1-4H3 > JFNVNVBVTVTZIZ-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.43677305242335 > 1 > 0 > 0 > 1 > 4-(2,2,6-trimethylcyclohexylidene)but-3-en-2-one > 3.4735564839999995 > 0 > 1 > 0 > 19.531252320001325 > -5.069498849593098 > 17.07 > 60.65279999999999 > 1 > 1 > 4-(2,2,6-trimethylcyclohexylidene)but-3-en-2-one > 1 > NP0182738 > 4-(2,2,6-trimethylcyclohexylidene)but-3-en-2-one $$$$