25216048 -OEChem-03192400152D 49 49 0 0 0 0 0 0 0999 V2000 8.1962 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.8700 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.3291 -0.0600 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 2.9400 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M ISO 3 39 2 40 2 48 2 M END > 25216048 > 1 > 522 > 1 > 0 > 5 > AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADgCggAICAAAAAACIAihSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgQMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-2-deuterio-7-(dideuteriomethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+/i1D2,13D > NCYCYZXNIZJOKI-ZQIOXCQBSA-N > 6.2 > 287.232845750 > C20H28O > 287.5 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C > [2H]C([2H])/C(=C\C=C\C(=C(/[2H])\C=O)\C)/C=C/C1=C(CCCC1(C)C)C > 17.1 > 287.232845750 > 0 > 21 > 0 > 0 > 4 > 0 > 3 > 1 > -1 > 1 5 255 $$$$