5287502 -OEChem-10051719513D 74 74 0 1 0 0 0 0 0999 V2000 -9.8467 -3.2073 -0.2348 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 0.5550 -1.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1045 0.1254 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2531 -0.8912 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7512 -2.3249 -0.4578 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8810 -0.1841 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7647 -2.4769 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7523 -1.3565 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6847 0.0745 -2.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7037 1.5221 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8647 0.8539 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6209 -1.7205 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 0.5944 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 1.5825 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8639 3.0390 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 1.2720 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 2.1681 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.7287 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4328 2.5885 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 4.0591 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 2.0729 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 0.6747 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 0.1457 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 -1.2650 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -1.8215 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 -0.9290 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7064 -0.5799 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -3.3041 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3824 -0.3276 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3009 -1.2923 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 0.5669 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3395 -1.9427 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0188 -0.8044 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7807 -0.6621 0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2857 -2.6116 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3099 -2.5585 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2433 -3.4351 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2197 -0.8825 -2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 0.8626 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5482 0.2175 -2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0525 2.3348 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8897 1.6581 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6596 1.6547 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2174 1.8733 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 -2.3201 2.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1463 -0.8560 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8698 -2.3235 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4907 -4.1113 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1949 -0.4253 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 3.2158 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 3.7709 0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 3.3053 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 0.2142 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 3.2272 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 0.6546 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 4.3568 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 4.3455 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 4.6553 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.7687 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.0509 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 0.8741 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 -1.9372 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 0.1402 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 -3.5589 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -3.8735 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 -3.6430 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 0.7136 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -2.3413 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3371 0.4641 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1885 1.5398 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 -2.7666 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0646 -2.0779 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8658 -2.0489 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1265 1.2900 -1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 48 1 0 0 0 0 2 31 1 0 0 0 0 2 74 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 12 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 13 2 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 17 18 2 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 63 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 M END > DB02253 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNAJVVMDXCOSFY-VFGOXHQXSA-N/SDF?record_type=3d > OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C > InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1 > FNAJVVMDXCOSFY-VFGOXHQXSA-N > C30H42O2 > 434.6533 > 434.318480588 > 2 > 74 > 8.793931727344236e-09 > 55.259680781106056 > 1 > 2 > 0 > 0 > (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol > 6.84 > 5.902959882666668 > -5.44 > 0 > 0 > 1 > 0 > 18.907213404525137 > 16.75904463664036 > -1.089784856860705 > 40.46 > 149.43130000000005 > 9 > 0 > 1.57e-03 g/l > biotin > 0 $$$$