9832912 -OEChem-06151811313D 99103 0 1 0 0 0 0 0999 V2000 2.2830 0.4965 1.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 -1.3418 -0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1534 -0.3768 0.9434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -0.7199 0.3894 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1507 -0.6810 -2.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7059 -2.4420 0.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 -2.4974 -1.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 -0.8553 4.2507 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 -1.0772 3.1418 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 -0.9169 1.1526 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4541 -0.6632 -0.6250 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9523 -0.8386 -0.4060 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6953 -1.3157 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 -0.5044 0.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6319 -1.7115 0.1721 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1453 0.9877 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 1.3123 0.4077 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8832 -1.6432 2.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4463 -2.2718 -0.6422 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2960 0.7028 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 -1.0659 -0.2432 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9568 -1.8433 0.8053 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3767 -1.4792 2.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 -3.0981 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4797 -3.3633 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3187 0.7987 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -1.7264 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 2.7782 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.4356 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4564 -1.5689 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 1.6442 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9908 -4.7754 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 3.7578 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 -0.5874 -2.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 -2.8986 -1.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 2.9113 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 4.7473 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 5.0689 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 5.0482 0.4542 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3282 -0.8943 -4.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 3.7785 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 5.6605 -1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3423 6.2725 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8075 -1.2744 -4.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0401 0.3166 -4.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -0.4143 5.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5428 -0.1773 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -1.1531 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 -2.3834 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -0.7871 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -1.4712 1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 1.3080 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 1.5462 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1017 1.1197 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 -2.7228 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -1.2915 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6171 -2.3981 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 0.0120 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7843 -2.9232 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 -3.9191 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 0.7705 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 1.6831 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 2.8987 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 3.0017 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6876 -0.0021 -2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -2.0965 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8689 -1.9056 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6721 -0.4999 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 1.4173 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3821 -4.9960 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7926 -4.9243 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2062 -5.5083 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3027 -1.7511 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 3.6486 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 0.4520 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -3.1432 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -3.2591 -1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 -3.4936 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7038 3.1223 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 4.3799 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 6.0581 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 5.0977 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 -1.7179 -4.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 3.5533 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 5.5936 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 6.7051 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 5.4029 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 6.2504 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 6.3258 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 7.1970 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 -2.1652 -3.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0959 -1.4962 -5.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 -0.4638 -3.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 1.1894 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 0.5943 -4.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 0.0941 -5.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 0.5223 5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.1797 5.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4712 -0.2388 6.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 11 1 0 0 0 0 5 65 1 0 0 0 0 6 19 1 0 0 0 0 6 73 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 23 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 19 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 50 1 0 0 0 0 15 24 1 0 0 0 0 15 27 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 28 1 0 0 0 0 17 54 1 0 0 0 0 18 23 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 25 1 0 0 0 0 19 57 1 0 0 0 0 20 26 1 0 0 0 0 20 31 2 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 22 59 1 0 0 0 0 24 25 2 0 0 0 0 24 60 1 0 0 0 0 25 32 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 28 33 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 36 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 37 2 0 0 0 0 33 74 1 0 0 0 0 34 40 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 41 2 0 0 0 0 36 79 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 41 1 0 0 0 0 39 43 1 0 0 0 0 39 82 1 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 M END > DB11431 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YZBLFMPOMVTDJY-LSGXYNIPSA-N/SDF?record_type=3d > [H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O > InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1 > YZBLFMPOMVTDJY-LSGXYNIPSA-N > C37H53NO8 > 639.83 > 639.377117671 > 8 > 99 > 71.01554969651814 > 0 > 2 > 0 > 0 > (1'R,2R,4E,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-4-(methoxyimino)-5,11',13',22'-tetramethyl-6-(4-methylpent-2-en-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 5.30 > 5.669639848666666 > -5.09 > 0 > 5 > 0 > 13.665894791674976 > 12.55355746577068 > 2.812169827467159 > 116.04000000000002 > 179.22140000000005 > 3 > 0 > 5.20e-03 g/l > (1'R,2R,4E,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-4-(methoxyimino)-5,11',13',22'-tetramethyl-6-(4-methylpent-2-en-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one > 0 $$$$