7048772 -OEChem-03282407092D 51 51 0 0 0 0 0 0 0999 V2000 8.1962 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -3.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 51 1 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 3 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 3 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 21 50 1 0 0 0 0 M END > 7048772 > 1 > 496 > 1 > 1 > 5 > AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADgCggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAAQAAEAAAgAAIkAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6?,12-11+,16-8+,17-13? > FPIPGXGPPPQFEQ-HPNHMNAASA-N > 5.7 > 286.229665576 > C20H30O > 286.5 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=CC(=CCO)C)/C > 20.2 > 286.229665576 > 0 > 21 > 0 > 0 > 2 > 2 > 0 > 1 > -1 > 1 5 255 > 16 17 1 18 20 1 $$$$