ISISHOST03240423212D 1 1.00000 0.00000 8122 39 45 0 1 0 999 V2000 14.7911 -11.5473 0.0000 C 0 0 0 0 0 0 0 0 0 14.0861 -11.9577 0.0000 C 0 0 0 0 0 0 0 0 0 14.0893 -12.7758 0.0000 C 0 0 0 0 0 0 0 0 0 15.5034 -11.9550 0.0000 C 0 0 0 0 0 0 0 0 0 15.5045 -12.7696 0.0000 C 0 0 0 0 0 0 0 0 0 14.7954 -13.1810 0.0000 C 0 0 0 0 0 0 0 0 0 14.9703 -13.9796 0.0000 N 0 0 0 0 0 0 0 0 0 15.7833 -14.0584 0.0000 C 0 0 0 0 0 0 0 0 0 16.1161 -13.3112 0.0000 C 0 0 0 0 0 0 0 0 0 16.9796 -15.0250 0.0000 C 0 0 2 0 0 0 0 0 0 16.9796 -15.8417 0.0000 C 0 0 2 0 0 0 0 0 0 17.6915 -16.2500 0.0000 C 0 0 0 0 0 0 0 0 0 18.3952 -15.8417 0.0000 C 0 0 0 0 0 0 0 0 0 18.3952 -15.0250 0.0000 C 0 0 0 0 0 0 0 0 0 17.6915 -14.6125 0.0000 C 0 0 3 0 0 0 0 0 0 13.5292 -15.6917 0.0000 C 0 0 0 0 0 0 0 0 0 13.5292 -16.5084 0.0000 C 0 0 0 0 0 0 0 0 0 14.2329 -16.9166 0.0000 C 0 0 0 0 0 0 0 0 0 14.2329 -15.2833 0.0000 C 0 0 0 0 0 0 0 0 0 14.9407 -15.6917 0.0000 C 0 0 0 0 0 0 0 0 0 14.9416 -16.5090 0.0000 C 0 0 0 0 0 0 0 0 0 15.7187 -16.7632 0.0000 N 0 0 0 0 0 0 0 0 0 15.7172 -15.4357 0.0000 C 0 0 1 0 0 0 0 0 0 16.2028 -16.1008 0.0000 C 0 0 2 0 0 0 0 0 0 16.1983 -14.7713 0.0000 C 0 0 2 0 0 0 0 0 0 16.8167 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 17.5209 -13.3042 0.0000 C 0 0 0 0 0 0 0 0 0 18.2250 -12.9000 0.0000 N 0 0 0 0 0 0 0 0 0 18.9292 -13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 16.5333 -15.4333 0.0000 C 0 0 0 0 0 0 0 0 0 16.6042 -16.8041 0.0000 N 0 0 3 0 0 0 0 0 0 17.3917 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 16.6000 -17.6250 0.0000 C 0 0 0 0 0 0 0 0 0 19.0958 -16.2500 0.0000 C 0 0 0 0 0 0 0 0 0 16.3917 -14.0584 0.0000 H 0 0 0 0 0 0 0 0 0 17.2709 -13.9042 0.0000 C 0 0 0 0 0 0 0 0 0 18.2625 -14.0334 0.0000 C 0 0 0 0 0 0 0 0 0 17.6875 -15.4250 0.0000 H 0 0 0 0 0 0 0 0 0 16.9750 -14.3625 0.0000 H 0 0 0 0 0 0 0 0 0 18 21 1 0 0 0 20 19 1 0 0 0 19 16 2 0 0 0 9 5 1 0 0 0 4 1 2 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 24 1 0 0 0 23 20 1 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 6 1 0 0 0 23 24 1 0 0 0 24 11 1 0 0 0 10 25 1 0 0 0 25 23 1 0 0 0 25 8 1 0 0 0 5 4 1 0 0 0 9 26 1 0 0 0 10 11 1 0 0 0 26 27 1 0 0 0 11 12 1 0 0 0 27 28 1 0 0 0 12 13 2 0 0 0 28 29 1 0 0 0 13 14 1 0 0 0 23 30 1 1 0 0 14 15 1 0 0 0 24 31 1 1 0 0 15 10 1 0 0 0 31 32 1 0 0 0 30 32 1 0 0 0 5 6 2 0 0 0 31 33 1 0 0 0 6 7 1 0 0 0 13 34 1 0 0 0 7 8 1 0 0 0 25 35 1 1 0 0 8 9 2 0 0 0 15 36 1 0 0 0 16 17 1 0 0 0 15 37 1 0 0 0 17 18 2 0 0 0 11 38 1 1 0 0 10 39 1 6 0 0 M END > CHEBI:3156 > Borreverine > 2 > Borreverine > C32H40N4 > 480.688 > 480.32530 > 0 > CNCCc1c([nH]c2ccccc12)[C@@H]1[C@@H]2[C@H](C=C(C)CC2(C)C)[C@]23Nc4ccccc4[C@]12CCN3C > InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1 > PHMBUGRSZKDHNS-QGEDZZHQSA-N > 51109-65-0 > C09082 > C00001693 $$$$