15251064 -OEChem-05201911083D 60 65 0 1 0 0 0 0 0999 V2000 -4.7911 -3.0995 -1.6767 F -1 0 0 0 0 0 0 0 0 0 0 0 -2.6737 0.1523 -0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 0.9669 1.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -2.5989 0.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 2.8986 -1.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0806 0.8125 -0.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -1.4020 0.2013 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2946 -0.2103 0.8944 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1975 -0.4565 1.1277 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4580 -0.8861 0.2172 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8873 -0.6857 -0.2493 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1945 0.0960 2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -0.2236 1.5847 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3542 -1.5755 -1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -1.7781 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 -0.9716 -0.0732 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8654 0.7177 1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8976 -2.7309 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 0.4379 2.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 -1.9301 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0686 0.0847 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 1.2130 -0.0507 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0997 -1.0832 -1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 -1.0390 -1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 0.6659 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -2.1199 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 2.5228 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 0.2154 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 3.4543 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 4.4687 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 4.0842 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 0.6679 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -1.3478 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 0.2515 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.5613 2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 1.1315 2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -0.8234 2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -0.6958 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 -2.4335 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.7659 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -1.7884 -2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5244 -1.9343 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 0.8862 2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 1.6415 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 -2.6705 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -3.5487 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -3.0432 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -0.4019 2.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 1.3091 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3811 1.2688 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -0.2632 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 -2.0190 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0466 -1.0420 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0035 -1.9049 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6825 1.4261 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 -2.4108 -2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 -1.2065 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 3.4152 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 5.3676 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 4.5198 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 20 2 0 0 0 0 5 27 1 0 0 0 0 5 31 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 22 27 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 28 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 M ISO 1 1 18 M END > DB15282 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VJKRBRUNEOHPBS-JQKUZGBFSA-N/SDF?record_type=3d > C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)C[18F])C1=CC=CO1 > InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17+,18+,19-,22+,23+,24-,25+/m0/s1/i26-1 > VJKRBRUNEOHPBS-JQKUZGBFSA-N > C25H29FO5 > 427.503 > 427.202436701 > 4 > 60 > 45.20102808212108 > 1 > 0 > 0 > 1 > (1R,2S,4R,6R,8S,9S,12S,13R)-8-[2-(¹⁸F)fluoroacetyl]-6-(furan-2-yl)-9-methyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one > 4.07 > 4.325398174333333 > -4.23 > 0 > 6 > 0 > 18.25084056868475 > 14.611950980290844 > -2.932416913544882 > 65.74000000000001 > 110.27629999999999 > 3 > 1 > 2.51e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$