70198784 -OEChem-05042402082D 119117 0 0 0 0 0 0 0999 V2000 10.7647 0.6200 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 6.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6302 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4962 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3623 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2283 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0943 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9603 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8264 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0287 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2317 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3656 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1627 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0977 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8948 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2967 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7608 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9637 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4306 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8297 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5618 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3589 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 11.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1364 7.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3633 8.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5164 8.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5239 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7269 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6814 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 11.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3014 12.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4356 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0326 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 38 1 0 0 0 0 2111 1 0 0 0 0 3 38 2 0 0 0 0 4 40 1 0 0 0 0 4112 1 0 0 0 0 5 40 2 0 0 0 0 6 48 1 0 0 0 0 6119 1 0 0 0 0 7 48 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 13 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 14 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 15 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 16 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 17 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 21 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 28 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 22 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 25 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 33 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 29 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 27 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 32 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 30 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 31 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 38 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 34 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 35 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 36 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 37 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 33101 1 0 0 0 0 34 35 2 3 0 0 0 34102 1 0 0 0 0 35103 1 0 0 0 0 36 39 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 37 40 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 42 44 1 0 0 0 0 42 48 1 0 0 0 0 43 46 2 0 0 0 0 43113 1 0 0 0 0 44 47 2 0 0 0 0 44114 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 45117 1 0 0 0 0 46 47 1 0 0 0 0 46118 1 0 0 0 0 M END > 70198784 > 1 > 559 > 6 > 3 > 29 > AAADcfB8OAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBACAABrACAmAAyCIAAAgCIAiDSCAACAAAkAAQIiAEACOgIJjKAFRCAcQAkwAEIm5eIyKCOggAAEAAQAAAEAAAgACAAAAAAAAAAAA== > 5-bromo-2-methyl-benzoic acid;nonadec-10-enoic acid;tetradecanoic acid > 5-bromo-2-methylbenzoic acid;10-nonadecenoic acid;tetradecanoic acid > 5-bromo-2-methylbenzoic acid;nonadec-10-enoic acid;tetradecanoic acid > 5-bromo-2-methylbenzoic acid;nonadec-10-enoic acid;tetradecanoic acid > 5-bromanyl-2-methyl-benzoic acid;nonadec-10-enoic acid;tetradecanoic acid > 5-bromo-2-methyl-benzoic acid;myristic acid;nonadec-10-enoic acid > InChI=1S/C19H36O2.C14H28O2.C8H7BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5-2-3-6(9)4-7(5)8(10)11/h9-10H,2-8,11-18H2,1H3,(H,20,21);2-13H2,1H3,(H,15,16);2-4H,1H3,(H,10,11) > YZTMLVSPGKVOAA-UHFFFAOYSA-N > 738.44340 > C41H71BrO6 > 739.9 > CCCCCCCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCCC(=O)O.CC1=C(C=C(C=C1)Br)C(=O)O > CCCCCCCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCCC(=O)O.CC1=C(C=C(C=C1)Br)C(=O)O > 112 > 738.44340 > 0 > 48 > 0 > 0 > 0 > 1 > 0 > 3 > -1 > 1 5 255 > 34 35 1 41 42 8 41 43 8 42 44 8 43 46 8 44 47 8 46 47 8 $$$$