Mrv1652309062223552D 14 14 0 0 1 0 999 V2000 2.1434 -0.4125 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 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 2 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 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 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 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 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 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 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 2 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0238510 > NP-MRD > C[C@H]1CC=C(C)[C@@H](\C=C\C=O)C1(C)C > InChI=1S/C13H20O/c1-10-7-8-11(2)13(3,4)12(10)6-5-9-14/h5-7,9,11-12H,8H2,1-4H3/b6-5+/t11-,12+/m0/s1 > WTXNKMUAUXRDQM-CYLBZQBVSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.260016357288535 > 1 > 0 > 0 > 1 > (2E)-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enal > 3.1180588163333334 > 0 > 1 > 0 > -4.543043884268942 > 17.07 > 62.1608 > 2 > 1 > (2E)-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enal > 1 > NP0238510 > (2e)-3-[(1r,5s)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enal $$$$