53465278 -OEChem-04262418042D 92 97 0 1 0 0 0 0 0999 V2000 7.0312 1.2601 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5111 1.2601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 11.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 10.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 10.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 12.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 14.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 16.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 1.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 1.5388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 15.8226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 5.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 6.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 4.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 4.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 14.9216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4710 14.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 14.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 14.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 13.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 12.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 13.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 11.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7416 12.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 14.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 12.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 11.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 11.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 14.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 16.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 12.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 13.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 17.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 10.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 9.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 11.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 11.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 5.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 6.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8788 7.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 7.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1885 6.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 4.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8682 2.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 5.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 1.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 4.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 2.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 14.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 15.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 15.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6531 13.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 14.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 15.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 12.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 15.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 11.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 11.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 17.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 18.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 17.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 0.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 0.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 10.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 9.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 10.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 9.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9897 9.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 10.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 10.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 11.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 11.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 11.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 11.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 35 1 0 0 0 0 2 48 1 0 0 0 0 3 37 1 0 0 0 0 3 49 1 0 0 0 0 4 41 1 0 0 0 0 4 50 1 0 0 0 0 5 42 1 0 0 0 0 5 51 1 0 0 0 0 6 46 1 0 0 0 0 6 53 1 0 0 0 0 7 43 2 0 0 0 0 8 44 2 0 0 0 0 9 52 1 0 0 0 0 9 92 1 0 0 0 0 10 52 2 0 0 0 0 11 23 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 28 12 1 1 0 0 0 12 44 1 0 0 0 0 12 70 1 0 0 0 0 13 14 1 0 0 0 0 13 35 2 0 0 0 0 14 36 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 60 1 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 25 27 1 0 0 0 0 25 62 1 0 0 0 0 26 27 2 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 32 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 34 1 0 0 0 0 31 39 2 0 0 0 0 32 33 1 0 0 0 0 32 38 2 0 0 0 0 33 34 1 0 0 0 0 33 37 2 0 0 0 0 34 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38 71 1 0 0 0 0 39 43 1 0 0 0 0 39 72 1 0 0 0 0 40 45 1 0 0 0 0 40 73 1 0 0 0 0 41 42 2 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 45 46 2 0 0 0 0 45 74 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 47 77 1 0 0 0 0 48 52 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 49 80 1 0 0 0 0 49 81 1 0 0 0 0 49 82 1 0 0 0 0 50 83 1 0 0 0 0 50 84 1 0 0 0 0 50 85 1 0 0 0 0 51 86 1 0 0 0 0 51 87 1 0 0 0 0 51 88 1 0 0 0 0 53 89 1 0 0 0 0 53 90 1 0 0 0 0 53 91 1 0 0 0 0 M END > 53465278 > 1 > 1220 > 11 > 2 > 10 > AAADcfB/vABAEAAAAAAAAAAAGAAAAWAAAAAwYMAABggAAADB1AAAHgRYCAAAHSzF2Aaz3sfMFgiqAqXSfAKSWCthIpANiIBO7MiNLyLEuZ+EMCpl1hfK6aeQ8P8OqAADSAAaQABQAAaQADSAAAAAAAAAAA== > 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]acetic acid;N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > InChI=1S/C22H25NO6.C17H14BrN3O2S/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);1-4,7-8,10H,5-6,9H2,(H,22,23)/t16-;/m0./s1 > JZGZGGBOANXSQN-NTISSMGPSA-N > 802.16720 > C39H39BrN4O8S > 803.7 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O > 176 > 802.16720 > 0 > 53 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 35 8 11 36 8 28 12 5 13 14 8 13 35 8 14 36 8 18 19 8 18 20 8 19 21 8 19 24 8 20 22 8 21 23 8 21 25 8 22 23 8 24 26 8 25 27 8 26 27 8 31 34 8 31 39 8 32 33 8 32 38 8 33 37 8 34 40 8 37 41 8 38 42 8 39 43 8 40 45 8 41 42 8 43 46 8 45 46 8 $$$$