5284447 -OEChem-10051719243D 94 97 0 1 0 0 0 0 0999 V2000 1.0717 -2.4370 -0.7728 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 -1.3934 -3.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 -4.5780 -0.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -2.8276 3.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 0.0750 -1.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -3.2724 0.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8595 1.7851 0.0799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 -1.9682 2.6359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 -4.1321 1.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 2.1905 -2.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8567 3.5299 1.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2033 1.8154 0.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7652 0.5394 2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 2.6521 -1.3801 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0505 -3.1933 -0.2898 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3256 -2.7647 -0.1671 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2811 -2.5098 1.3462 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1989 -2.9804 1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -3.2482 1.9854 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2676 -2.6501 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -3.4461 -0.9555 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1942 -1.7250 -1.9257 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5910 -3.0949 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4348 -1.9852 -0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6859 -1.5551 -1.7183 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4560 -0.4557 -0.7280 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5499 -2.9861 1.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 0.7358 -0.6599 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6433 1.2876 -1.4984 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6506 2.0091 -0.5924 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9461 3.0422 0.3029 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1769 -0.4095 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 2.4012 1.0189 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2017 0.2112 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 3.4356 1.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7989 -0.4951 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 0.8797 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3106 0.6634 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1088 1.4315 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 2.0301 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5684 3.0533 0.9600 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6315 4.1469 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 2.5039 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0214 3.3631 0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 3.8609 0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 3.0397 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2767 3.4256 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -3.8294 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 -1.4415 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -3.6279 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 -1.9456 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -4.3284 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 -2.6266 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -1.6042 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 -4.5139 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 -0.9521 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3965 -3.8400 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 -3.1870 -3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -2.2037 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -2.3781 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2825 -2.4538 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 -0.2514 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -4.6895 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 -0.0074 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 0.4695 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1403 1.2652 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 -3.3206 3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 3.8885 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0203 0.5635 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0896 1.6423 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 -3.8027 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 0.0953 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 2.9688 2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 4.2299 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 3.8877 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 -2.2593 3.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 3.4004 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3662 3.1062 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9493 -1.4660 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 2.4476 -3.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 0.9811 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 4.3274 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 1.3069 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 2.1404 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4521 2.9634 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9211 5.1262 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7049 4.2042 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 2.3715 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1693 3.4206 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6786 2.5666 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3399 4.3086 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 3.9721 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 3.1567 1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 3.2970 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 15 1 0 0 0 0 3 63 1 0 0 0 0 4 19 1 0 0 0 0 4 67 1 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 6 21 1 0 0 0 0 6 71 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 76 1 0 0 0 0 9 27 2 0 0 0 0 10 29 1 0 0 0 0 10 80 1 0 0 0 0 11 31 1 0 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 41 1 0 0 0 0 13 38 2 0 0 0 0 14 30 1 0 0 0 0 14 77 1 0 0 0 0 14 78 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 32 1 0 0 0 0 25 61 1 0 0 0 0 26 34 1 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 68 1 0 0 0 0 32 36 2 0 0 0 0 32 69 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 34 37 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 39 40 2 0 0 0 0 39 83 1 0 0 0 0 40 43 1 0 0 0 0 40 84 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 0 0 0 0 41 85 1 0 0 0 0 42 45 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 46 2 0 0 0 0 43 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 47 2 0 0 0 0 45 92 1 0 0 0 0 46 47 1 0 0 0 0 46 93 1 0 0 0 0 47 94 1 0 0 0 0 M END > DB00826 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NCXMLFZGDNKEPB-FFPOYIOWSA-N/SDF?record_type=3d > [H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@]4([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@@]1([H])O2)O3 > InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1 > NCXMLFZGDNKEPB-FFPOYIOWSA-N > C33H47NO13 > 665.733 > 665.304740577 > 13 > 94 > 68.57872875871091 > 0 > 7 > 0 > 0 > (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0⁵,⁷]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > -3.46 > -1.694913093638562 > -3.38 > 0 > 4 > 0 > 11.830297037788116 > 3.579739281946898 > 9.113107009890703 > 230.98999999999995 > 169.88260000000005 > 3 > 0 > 2.78e-01 g/l > natamycin > 0 $$$$