15965874 -OEChem-06012315533D 107111 0 1 0 0 0 0 0999 V2000 1.5388 -0.6504 1.7507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 0.8436 -0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 1.0996 -0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1766 -0.4626 0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 0.3793 0.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9639 0.3114 2.8873 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7737 2.5140 -1.8552 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9282 1.0864 0.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 -0.5003 0.9932 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2033 0.7702 0.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3073 -0.5823 1.0106 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7200 0.8713 0.2950 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7585 -0.5220 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1868 0.8962 0.0162 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4549 1.0169 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 -0.8298 2.0409 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1739 -1.2326 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -0.5087 2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 1.7336 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 1.4490 0.1155 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5396 1.7110 -0.5299 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8357 0.1589 0.3979 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3285 -0.6314 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9842 0.2449 -0.4265 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9302 -1.6970 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -1.4365 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7352 2.4590 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2902 2.1947 -0.5436 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0316 3.0445 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0006 0.6798 -0.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4374 0.0863 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7684 2.5093 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2532 -0.1949 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3879 2.6348 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4317 0.6793 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 -1.6888 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8652 0.4640 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 -2.1703 -1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6550 -0.5837 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2826 -3.1914 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1503 -1.7150 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0418 -0.7114 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4432 -2.0976 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0102 -3.9391 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9248 0.3025 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 -4.9581 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3293 0.1631 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 1.5921 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -1.4101 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 1.6707 1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 1.4458 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 0.3446 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 2.0210 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4711 -1.6348 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -2.3126 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 -1.1335 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7701 0.3940 2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 -1.3291 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 2.7639 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9553 1.3658 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 1.9783 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -0.5069 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 2.2107 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9483 -0.3814 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -1.6924 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8828 -0.2369 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -1.6750 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -1.7495 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 -2.6377 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -1.6976 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -0.9697 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 -2.3656 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 3.2878 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 2.0312 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1741 4.0360 -0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9074 3.2059 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 0.4065 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 0.5045 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6424 -0.9873 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 3.5009 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8362 2.6664 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3495 2.0065 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 0.0710 3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 0.0171 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8428 0.0290 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1588 2.3364 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5071 3.7250 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3663 2.2297 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2867 1.7638 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 0.2993 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0752 2.2989 -2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4349 -1.8827 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8878 -2.2347 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2663 1.2504 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 -1.6869 -2.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 -3.4835 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2092 -1.5029 -2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8736 -1.9536 -2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9834 -2.6156 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6303 -2.5888 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6989 -2.7153 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2920 -2.1120 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5337 -3.7044 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6297 1.3138 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -5.4939 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 -5.2783 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8043 -0.8169 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 30 1 0 0 0 0 6 16 1 0 0 0 0 6 83 1 0 0 0 0 7 28 1 0 0 0 0 7 91 1 0 0 0 0 8 47 2 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 48 1 0 0 0 0 11 16 1 0 0 0 0 11 49 1 0 0 0 0 12 15 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 19 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 23 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 21 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 20 61 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 21 63 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 31 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 29 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 33 1 0 0 0 0 30 77 1 0 0 0 0 31 35 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 36 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 38 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 39 2 0 0 0 0 37 94 1 0 0 0 0 38 40 2 0 0 0 0 38 95 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 40 44 1 0 0 0 0 40 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42 43 1 0 0 0 0 42 45 2 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44 46 2 0 0 0 0 44103 1 0 0 0 0 45 47 1 0 0 0 0 45104 1 0 0 0 0 46105 1 0 0 0 0 46106 1 0 0 0 0 47107 1 0 0 0 0 M END > DB17865 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JPBOABGEVHVPNM-LPEULFRDSA-N/SDF?record_type=3d > [H][C@@]12C[C@]3([H])O[C@]4([H])CC[C@](C)(O)[C@@H](CC\C=C/C=C)O[C@@]4([H])CC[C@@]3(C)O[C@@]1([H])[C@@H](O)C[C@@]1(C)O[C@@H](CC\C=C(/C)\C(\C)=C\C=O)[C@@H](C)C[C@]1([H])O2 > InChI=1S/C39H60O8/c1-8-9-10-11-15-33-37(5,42)19-16-30-31(43-33)17-20-38(6)35(44-30)23-32-36(47-38)28(41)24-39(7)34(45-32)22-27(4)29(46-39)14-12-13-25(2)26(3)18-21-40/h8-10,13,18,21,27-36,41-42H,1,11-12,14-17,19-20,22-24H2,2-7H3/b10-9-,25-13+,26-18+/t27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+/m0/s1 > JPBOABGEVHVPNM-LPEULFRDSA-N > C39H60O8 > 656.901 > 656.428818892 > 8 > 107 > 0.0018857068532685285 > 78.59936281147561 > 0 > 2 > 0 > 0 > (2E,4E)-7-[(1S,3R,5S,7S,8S,10R,12S,13S,15R,18S,20R,21S,24R)-20-[(3Z)-hexa-3,5-dien-1-yl]-12,21-dihydroxy-7,10,15,21-tetramethyl-4,9,14,19,25-pentaoxapentacyclo[13.10.0.0^{3,13}.0^{5,10}.0^{18,24}]pentacosan-8-yl]-3,4-dimethylhepta-2,4-dienal > 5.212248440666668 > 1 > 0 > 5 > 0 > 103.68000000000002 > 185.2443 > 9 > 0 > (2E,4E)-7-[(1S,3R,5S,7S,8S,10R,12S,13S,15R,18S,20R,21S,24R)-20-[(3Z)-hexa-3,5-dien-1-yl]-12,21-dihydroxy-7,10,15,21-tetramethyl-4,9,14,19,25-pentaoxapentacyclo[13.10.0.0^{3,13}.0^{5,10}.0^{18,24}]pentacosan-8-yl]-3,4-dimethylhepta-2,4-dienal > 0 $$$$