5280793 -OEChem-10051719083D 73 75 0 1 0 0 0 0 0999 V2000 -7.4382 0.1154 -1.3372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 1.4100 0.1344 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0629 0.7278 -0.4350 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2912 0.6030 -0.6229 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7055 -0.7731 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -0.8505 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 2.9111 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 1.0137 0.2900 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6831 1.0174 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 1.2457 1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 3.3269 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 2.5108 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 2.5125 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 0.2493 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 0.1652 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -0.6673 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 0.5885 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 -1.4432 -0.3516 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0489 -0.2642 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7246 -1.1765 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4393 0.2193 0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 -2.9280 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9121 -1.7087 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5217 -0.4125 -0.0149 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9720 -2.3622 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3830 -1.9351 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1062 0.3086 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 -1.9847 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9393 -2.4195 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 1.0415 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 0.8381 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -1.3052 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 -1.2601 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 -1.4734 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -1.3029 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 3.1858 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 3.5347 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 0.6964 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 1.8328 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 1.5867 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 0.2054 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 3.2195 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 4.3936 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7978 2.8506 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 2.7546 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 2.9416 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 2.6889 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 3.0735 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 0.4656 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -0.8742 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -0.8851 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 1.6448 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 -1.1312 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -1.4856 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 -0.0318 1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4984 1.3113 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6748 -3.5161 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 -3.0771 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9987 -3.3433 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 -0.1487 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -2.1027 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 -3.4557 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1002 -2.3485 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6181 -2.3606 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 0.4658 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 0.6895 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 0.9171 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 -1.7852 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8274 -1.7295 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7242 -3.0599 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -3.4948 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 -1.9772 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5317 -0.0003 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 73 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 2 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 2 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 54 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 23 29 2 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 M END > DB00153 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MECHNRXZTMCUDQ-RKHKHRCZSA-N/SDF?record_type=3d > CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C > InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 > MECHNRXZTMCUDQ-RKHKHRCZSA-N > C28H44O > 396.6484 > 396.33921603 > 1 > 73 > 4.798854262612722e-09 > 50.72109432889645 > 1 > 1 > 0 > 0 > (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol > 7.59 > 7.050558194333334 > -5.96 > 0 > 0 > 3 > 0 > 18.384341369959035 > -1.3184890847799178 > 20.23 > 128.88969999999998 > 5 > 0 > 4.33e-04 g/l > tetrahydrofolic acid > 1 $$$$