11999755 -OEChem-04262401382D 85 85 0 1 0 0 0 0 0999 V2000 0.0000 7.6628 0.0000 Tc 2 0 0 0 0 0 0 0 0 0 0 0 3.9525 4.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 0.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 8.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 7.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 8.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 10.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 12.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1027 14.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 2.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8807 2.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9525 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 13.5408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 12.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9761 12.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 11.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 11.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 10.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3822 9.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2466 10.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4661 12.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 10.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2383 8.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1768 9.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 11.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1055 14.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 10.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 10.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6716 15.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 7.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9838 7.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9045 9.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 9.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5505 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4166 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 2.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1486 2.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8185 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1486 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 12.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5347 12.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8381 13.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 11.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 12.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9239 13.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 10.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 12.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 9.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 9.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 15.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 15.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 14.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 8.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 7.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0078 7.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6326 6.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4947 6.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 7.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 8.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4621 9.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 9.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9491 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8151 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 9.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 9.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 9.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 1.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9366 0.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0146 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 43 1 0 0 0 0 2 84 1 0 0 0 0 3 44 1 0 0 0 0 3 85 1 0 0 0 0 4 24 1 0 0 0 0 4 35 1 0 0 0 0 5 28 1 0 0 0 0 5 36 1 0 0 0 0 6 29 1 0 0 0 0 6 37 1 0 0 0 0 7 33 1 0 0 0 0 7 38 1 0 0 0 0 8 30 2 0 0 0 0 9 31 2 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 12 45 2 0 0 0 0 13 46 2 0 0 0 0 17 14 1 1 0 0 0 14 31 1 0 0 0 0 14 52 1 0 0 0 0 15 39 1 0 0 0 0 41 15 1 6 0 0 0 15 78 1 0 0 0 0 16 40 1 0 0 0 0 42 16 1 6 0 0 0 16 79 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 32 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 41 76 1 0 0 0 0 42 44 1 0 0 0 0 42 46 1 0 0 0 0 42 77 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 M CHG 2 10 -1 11 -1 M ISO 1 1 99 M END > 11999755 > 1 > 945 > 14 > 5 > 12 > AAADcfB7PABgAAAAAAAAAAAAQAAAAAAAAAAwAAAABggAAAABAAAAHgQQAAAADCzF2AayDoLABASIAqHSGAKCCAAgIAAAiIHOiMgPZyKEsT6UMCIl1hWaqYeQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA== > (2R)-2-[2-[[(1R)-1-carboxylato-2-sulfanyl-ethyl]amino]ethylamino]-3-sulfanyl-propanoate;technetium-99;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2R)-2-[2-[[(1R)-1-carboxylato-2-mercaptoethyl]amino]ethylamino]-3-mercaptopropanoate;technetium-99;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2R)-2-[2-[[(1R)-1-carboxylato-2-sulfanylethyl]amino]ethylamino]-3-sulfanylpropanoate;technetium-99;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2R)-2-[2-[[(1R)-1-carboxylato-2-sulfanylethyl]amino]ethylamino]-3-sulfanylpropanoate;technetium-99;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > (2R)-2-[2-[[(2R)-1-oxidanidyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]ethylamino]-3-sulfanyl-propanoate;technetium-99;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > (2R)-2-[2-[[(1R)-1-carboxylato-2-mercapto-ethyl]amino]ethylamino]-3-mercapto-propionate;N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;technetium-99 > InChI=1S/C22H25NO6.C8H16N2O4S2.Tc/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;11-7(12)5(3-15)9-1-2-10-6(4-16)8(13)14;/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);5-6,9-10,15-16H,1-4H2,(H,11,12)(H,13,14);/p-2/t16-;5-,6-;/m00./s1/i;;1+1 > RLKCOXXDSKQAJD-GEFLIKKISA-L > 764.113936 > C30H39N3O10S2Tc-2 > 764.7 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(CNC(CS)C(=O)[O-])NC(CS)C(=O)[O-].[Tc] > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(CN[C@@H](CS)C(=O)[O-])N[C@@H](CS)C(=O)[O-].[99Tc] > 189 > 764.113936 > -2 > 46 > 3 > 0 > 0 > 0 > 1 > 3 > -1 > 1 5 255 > 17 14 5 41 15 6 42 16 6 20 23 8 20 26 8 21 22 8 21 25 8 22 24 8 23 27 8 24 28 8 25 29 8 26 30 8 27 32 8 28 29 8 30 33 8 32 33 8 $$$$