Mrv1533004251509502D 14 14 0 0 0 0 999 V2000 2.8579 3.3000 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 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 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 1 0 0 0 0 4 2 1 4 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 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 > NP0234577 > NP-MRD > CC(O)C=CC1=C(C)C=CCC1(C)C > InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8,11,14H,9H2,1-4H3 > SJICFWRZYCWFOK-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.20064500585639 > 1 > 1 > 0 > 1 > 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol > 3.87 > 2.6803769776666666 > -2.78 > 0 > 1 > 0 > 16.94999644133345 > -1.945871556560749 > 20.23 > 63.939 > 2 > 1 > 3.22e-01 g/l > 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol > 1 > NP0234577 > 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-ol $$$$