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0 0 0 0 0 0 0 0 12.5263 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -8.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -9.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -9.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -8.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 9.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3176 8.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -6.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -7.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2708 8.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8723 9.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8913 7.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1182 6.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 6.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -6.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2163 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 69 1 0 0 0 0 11 2 1 6 0 0 0 2 73 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 8 1 0 0 0 0 5 45 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 11 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 2 0 0 0 0 19 65 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 25 3 0 0 0 0 23 24 1 0 0 0 0 23 74 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 30 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 32 2 0 0 0 0 30 82 1 0 0 0 0 31 33 1 0 0 0 0 31 83 1 0 0 0 0 32 34 1 0 0 0 0 32 84 1 0 0 0 0 33 35 2 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 37 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 38 90 1 0 0 0 0 39 42 1 0 0 0 0 39 91 1 0 0 0 0 40 42 2 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 M END > 6440986 > 1 > 1360 > 2 > 2 > 10 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgDAEiBCAAgAAAAgAAAICAAAAAgIEAIAAQAAQAAEwAAIgAOAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol > InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 > HNYJHQMUSVNWPV-DRCJTWAYSA-N > 10.7 > 566.412380961 > C40H54O2 > 566.9 > CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(CC(CC2(C)C)O)C)C)C > CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC2=C(C[C@H](CC2(C)C)O)C)/C)/C > 40.5 > 566.412380961 > 0 > 42 > 2 > 0 > 8 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 5 11 2 6 $$$$