9867869 -OEChem-10051720513D 55 60 0 1 0 0 0 0 0999 V2000 -0.7333 -0.0517 1.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -2.7031 -0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 2.2085 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 1.4007 -0.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5882 -2.1014 -0.8762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -0.4164 -2.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -2.4916 -0.7181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.8884 -1.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 -2.9084 1.7344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0498 3.7873 -0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 1.8437 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -0.3809 -0.6804 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0877 0.5028 0.1138 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8850 -0.8767 0.4101 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8337 -1.6490 -1.0982 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2625 -0.4709 0.4165 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3103 -0.8929 -0.1843 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8525 0.2882 -1.7356 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2904 0.9205 1.3357 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3054 -1.3165 -0.8591 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2869 0.2271 -1.2020 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5271 1.8606 -0.4311 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4151 -2.2593 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 0.1443 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 -0.4573 0.7615 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3669 2.7466 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 1.0473 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -0.9679 0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 1.0751 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.9578 2.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 -0.9549 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -2.0145 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 -1.1193 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.3225 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 1.0245 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 -0.7784 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 0.0902 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 2.3783 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1959 -0.7387 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 -2.7963 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 0.0436 -3.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 -3.0190 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 -1.7743 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 -0.5703 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 -1.3904 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 2.1512 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 0.7715 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1706 1.0013 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 1.8413 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 1.3227 2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 0.3305 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5733 -0.5170 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0906 -0.6795 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8854 -2.0434 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 1.2627 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 40 1 0 0 0 0 6 18 1 0 0 0 0 6 41 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 22 1 0 0 0 0 8 55 1 0 0 0 0 9 23 2 0 0 0 0 10 26 2 0 0 0 0 11 27 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 25 39 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > DB06745 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AMOGMTLMADGEOQ-DTDWCABLSA-N/SDF?record_type=3d > C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O > InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1 > AMOGMTLMADGEOQ-DTDWCABLSA-N > C20H24O11 > 440.398 > 440.13186161 > 8 > 55 > -2.9246863279740286e-05 > 39.80809757334404 > 1 > 4 > 0 > 0 > (1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione > 0.24 > -1.5791624279999996 > -1.69 > 0 > 0 > 6 > 0 > 12.293733243860268 > 11.7046320739477 > -3.3011310395433555 > 169.04999999999998 > 92.66649999999998 > 1 > 1 > 8.99e+00 g/l > biotin > 0 $$$$