Mrv1572001261617362D 115124 0 0 0 0 999 V2000 7.4457 3.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 3.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 4.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9347 4.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5194 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0783 7.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4273 0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4373 2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 5.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8692 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3095 6.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9426 9.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2286 3.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 3.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1514 5.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 4.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7874 4.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1924 4.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 7.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0654 6.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 6.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 5.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4489 9.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7741 2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3393 5.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6737 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6155 2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 6.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2443 1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 7.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 9.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 5.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 6.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 3.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 4.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6922 5.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3650 6.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6192 6.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0509 9.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9587 2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6283 3.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3983 1.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4693 8.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2461 5.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7975 5.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2728 5.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0382 8.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1643 5.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0940 6.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8724 0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5695 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4949 3.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4441 6.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9688 9.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1737 2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6086 2.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1205 4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3543 5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0274 7.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 8.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 7.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8280 3.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3680 4.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5689 6.3376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9190 6.3195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 -0.0719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3605 1.4316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8488 7.0112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8390 1.5791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0967 3.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 6.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9349 5.6918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 2.7876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 6.6395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4801 4.9943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1416 5.6105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 8.5255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0180 3.3636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2615 1.9074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7911 8.7769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5243 7.3004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1475 3.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 6.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4654 0.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 9.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6080 5.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5846 4.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6894 5.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4273 0.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0965 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2853 3.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8645 5.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1704 9.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4567 1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 6.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7761 2.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 1.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 8.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8754 7.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3244 7.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 4.3782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3452 6.6818 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8663 7.3402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 9.5036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2495 2.9166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 2.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 17 16 2 0 0 0 0 19 18 1 0 0 0 0 26 3 1 0 0 0 0 26 14 1 0 0 0 0 27 4 2 0 0 0 0 28 5 2 0 0 0 0 29 6 2 0 0 0 0 30 7 1 0 0 0 0 31 8 1 0 0 0 0 32 9 1 0 0 0 0 33 10 1 0 0 0 0 34 11 1 0 0 0 0 35 12 1 0 0 0 0 36 16 1 0 0 0 0 37 20 2 0 0 0 0 37 32 1 0 0 0 0 37 36 1 0 0 0 0 38 15 2 0 0 0 0 39 17 1 0 0 0 0 40 18 1 0 0 0 0 41 20 1 0 0 0 0 42 21 2 0 0 0 0 43 22 2 0 0 0 0 44 24 2 0 0 0 0 45 23 1 0 0 0 0 46 25 2 0 0 0 0 47 26 1 0 0 0 0 48 33 1 0 0 0 0 49 34 1 0 0 0 0 50 36 2 0 0 0 0 51 39 1 0 0 0 0 51 50 1 0 0 0 0 52 42 1 0 0 0 0 54 27 1 0 0 0 0 55 29 1 0 0 0 0 56 28 1 0 0 0 0 57 30 1 0 0 0 0 58 31 1 0 0 0 0 59 43 1 0 0 0 0 60 44 1 0 0 0 0 61 46 1 0 0 0 0 62 45 1 0 0 0 0 63 47 1 0 0 0 0 64 48 1 0 0 0 0 65 38 1 0 0 0 0 66 40 1 0 0 0 0 67 49 1 0 0 0 0 68 53 1 0 0 0 0 69 41 1 0 0 0 0 71 13 1 0 0 0 0 71 35 1 0 0 0 0 71 53 1 0 0 0 0 72 19 1 0 0 0 0 72 52 1 0 0 0 0 72 70 1 0 0 0 0 73 54 2 0 0 0 0 74 27 1 4 0 0 0 74 55 2 0 0 0 0 75 28 1 4 0 0 0 75 57 2 0 0 0 0 76 31 1 4 0 0 0 76 56 2 0 0 0 0 77 29 1 4 0 0 0 77 59 2 0 0 0 0 78 30 1 4 0 0 0 78 63 2 0 0 0 0 79 39 1 0 0 0 0 79 47 1 0 0 0 0 80 41 2 0 0 0 0 80 50 1 0 0 0 0 81 40 2 0 0 0 0 81 52 1 0 0 0 0 82 38 1 4 0 0 0 82 64 2 0 0 0 0 83 42 1 0 0 0 0 83 67 2 0 0 0 0 84 45 1 0 0 0 0 84 65 2 0 0 0 0 85 43 1 0 0 0 0 85 66 2 0 0 0 0 86 44 1 0 0 0 0 86 68 2 0 0 0 0 87 46 1 0 0 0 0 87 70 2 0 0 0 0 88 48 1 4 0 0 0 88 61 2 0 0 0 0 89 49 1 4 0 0 0 89 60 2 0 0 0 0 90 53 1 4 0 0 0 90 62 2 0 0 0 0 91 58 2 0 0 0 0 91 72 1 4 0 0 0 92 32 1 0 0 0 0 93 33 1 0 0 0 0 94 35 1 0 0 0 0 95 51 1 0 0 0 0 96 54 1 0 0 0 0 97 55 1 0 0 0 0 98 56 1 0 0 0 0 99 57 1 0 0 0 0 100 58 1 0 0 0 0 101 59 1 0 0 0 0 102 60 1 0 0 0 0 103 61 1 0 0 0 0 104 62 1 0 0 0 0 105 63 1 0 0 0 0 106 64 1 0 0 0 0 107 69 2 0 0 0 0 108 71 1 0 0 0 0 109 34 1 0 0 0 0 109 69 1 0 0 0 0 110 23 1 0 0 0 0 110 65 1 0 0 0 0 111 22 1 0 0 0 0 111 66 1 0 0 0 0 112 21 1 0 0 0 0 112 67 1 0 0 0 0 113 24 1 0 0 0 0 113 68 1 0 0 0 0 114 25 1 0 0 0 0 114 70 1 0 0 0 0 115 15 1 0 0 0 0 M END > DB11467 > drugbank > [H]\C(C)=C1/N=C(O)C(N=C(O)C2=CSC(=N2)C23CCC(=NC2C2=CSC(=N2)C(N=C(O)C2=CSC(=N2)C(N=C(O)C2CSC1=N2)C(C)(O)C(C)O)C(C)OC(=O)C1=NC2=C(C=CC(NC(C(C)CC)C(O)=NC(C)C(O)=NC(=C)C(O)=NC(C)C(O)=N3)C2O)C(=C1)C(C)O)C1=NC(=CS1)C(O)=NC(=C)C(O)=NC(=C)C(O)=N)C(C)O > InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+ > NSFFHOGKXHRQEW-DVRIZHICSA-N > C72H85N19O18S5 > 1664.89 > 1663.492352843 > 36 > 199 > 164.20626104020064 > 0 > 18 > 0 > 0 > 2-[({2-[(11E)-37-(butan-2-yl)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8,60-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-28-oxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2²⁹,³².1²,⁵.1¹²,¹⁵.1¹⁹,²².1³¹,³⁵.1⁵⁴,⁵⁷.0¹,⁵³]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,51,54,57,60-icosaen-51-yl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-N-[1-(C-hydroxycarbonimidoyl)eth-1-en-1-yl]prop-2-enimidic acid > 3.23 > 7.204186833666662 > -4.72 > 1 > 10 > -2 > 2.8129593873095575 > 2.282076422347218 > 598.6300000000003 > 430.7429999999998 > 12 > 0 > 3.20e-02 g/l > 2-[({2-[(11E)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-6,9,16,23,38,41,44,47,59-nonahydroxy-8,60-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-28-oxo-37-(sec-butyl)-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2²⁹,³².1²,⁵.1¹²,¹⁵.1¹⁹,²².1³¹,³⁵.1⁵⁴,⁵⁷.0¹,⁵³]tetrahexaconta-2(64),4,6,9,12(63),16,19(62),21,23,29,31,33,38,41,44,47,51,54,57,60-icosaen-51-yl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-N-[1-(C-hydroxycarbonimidoyl)eth-1-en-1-yl]prop-2-enimidic acid > 0 > DB11467 > vet_approved > Thiostrepton > Thiostrepton $$$$