54705887 -OEChem-04262413562D 81 84 0 0 0 0 0 0 0999 V2000 11.9532 2.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 5.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2861 5.6344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 -0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1408 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 -1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2492 0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2022 -1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -2.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1877 2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1788 -3.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2961 3.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0951 5.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0704 -4.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2112 4.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -4.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9041 5.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 4.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3281 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5951 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0469 -5.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0539 3.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 -5.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7604 5.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 3.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 -6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0604 7.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1297 7.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 4.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 -7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5743 8.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6159 8.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 0.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 -0.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 -0.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7595 0.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 -2.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1015 1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6305 0.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 -1.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3119 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7829 1.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2415 -3.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -2.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 2.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3354 2.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 2.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 -2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5601 -3.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1484 4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6774 3.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -4.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -3.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -4.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 -6.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 -5.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -5.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -6.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3020 5.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9364 2.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -7.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 -6.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4405 7.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7497 7.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3034 3.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -6.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 -7.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2622 8.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 8.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4562 2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -8.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -9.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 -8.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 78 1 0 0 0 0 2 22 2 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 7 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 8 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 9 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 13 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 16 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 17 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 22 1 0 0 0 0 17 25 2 0 0 0 0 18 24 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 20 28 2 0 0 0 0 21 23 1 0 0 0 0 21 30 2 0 0 0 0 23 31 2 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 32 2 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 29 33 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 34 1 0 0 0 0 30 71 1 0 0 0 0 31 35 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 36 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 35 2 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 M END > 54705887 > 1 > 700 > 2 > 1 > 17 > AAADcfB+MAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFiB/AAAHgAACAAADAyBngAywPMMEgCoAyVyVACCgCAhIiAImCEwbNgIJvLAkZGEcAhmxAHI2QeYyPCOgAACAAACAAAAAAQAAAQAAAAAAAAAAA== > 4-hydroxy-3-octadecyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > 4-hydroxy-3-octadecyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > 4-hydroxy-3-octadecyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > 4-hydroxy-3-octadecyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > 3-octadecyl-4-oxidanyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > 4-hydroxy-3-stearyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one > InChI=1S/C33H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-32(35)28-24-20-23-27-26-21-18-19-25-30(26)34(31(27)28)33(29)36/h18-21,23-25,35H,2-17,22H2,1H3 > NVOFDEPNKSBZLS-UHFFFAOYSA-N > 12.3 > 487.345029678 > C33H45NO2 > 487.7 > CCCCCCCCCCCCCCCCCCC1=C(C2=CC=CC3=C2N(C1=O)C4=CC=CC=C34)O > CCCCCCCCCCCCCCCCCCC1=C(C2=CC=CC3=C2N(C1=O)C4=CC=CC=C34)O > 42.2 > 487.345029678 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 19 8 15 20 8 17 22 8 17 25 8 19 23 8 19 27 8 20 25 8 20 28 8 21 23 8 21 30 8 23 31 8 27 32 8 28 32 8 3 15 8 3 21 8 3 22 8 30 34 8 31 35 8 34 35 8 $$$$