HMDB0116787 RDKit 3D PS(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) 154153 0 0 0 0 0 0 0 0999 V2000 5.7250 -3.0696 -4.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9138 -2.6952 -3.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -3.3233 -1.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -3.0775 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 -3.6290 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8684 -3.4099 1.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -4.2371 2.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -5.6622 2.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -6.5687 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -7.6082 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 -8.1291 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -8.4718 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -8.0012 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 -6.9586 -1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 -5.6826 -1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 -5.1419 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 -5.8060 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -5.2017 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3865 -4.8365 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -4.9552 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 -3.6800 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -2.4581 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2132 -2.4213 -1.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -1.2551 -1.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 0.0141 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 0.6098 -2.7372 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2337 0.2015 -3.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 1.0060 -4.5009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 0.6558 -5.3781 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8792 -0.6967 -5.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 1.7939 -5.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 0.7209 -7.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 0.0426 -7.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 0.0787 -9.2713 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4345 -0.6486 -10.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2858 1.4708 -9.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 1.9175 -10.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 2.3073 -9.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 2.0400 -2.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 2.9303 -2.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 2.4831 -3.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1944 4.4247 -2.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 5.0198 -3.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 6.4387 -3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 6.9976 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 7.2140 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 8.2966 -1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 8.4748 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 8.5714 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 7.2828 1.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3928 6.2464 1.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 4.9261 2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 4.6242 3.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 4.9063 4.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 4.3839 5.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4309 3.5050 6.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 2.8553 6.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 1.3453 6.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 1.0032 4.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 1.5111 3.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 1.3091 2.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -0.0708 2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1169 -0.9267 2.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.3088 1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5927 -4.1861 -4.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7946 -2.9129 -4.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -2.5128 -5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -1.5552 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8491 -2.8832 -3.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 -4.4047 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 -2.8411 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -1.9726 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -3.5186 -0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -4.6500 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 -3.0076 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5165 -2.3364 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 -3.8004 3.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3879 -5.9188 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 -5.7589 3.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2951 -6.3201 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 -8.1239 2.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 -9.1022 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -7.4466 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -9.3095 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -8.5499 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 -6.8626 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5075 -7.4286 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 -4.9958 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -4.0905 -2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -6.0325 -1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 -6.8281 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -5.0481 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.3903 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 -5.4631 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -5.6756 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 -3.4450 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -3.8672 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 0.4711 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7136 0.6744 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 0.5123 -3.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 -0.8427 -3.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.4140 -2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2114 2.7126 -5.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -1.0149 -7.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 0.5782 -7.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -0.4396 -9.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 -0.6343 -11.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -1.6519 -9.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5185 2.9237 -8.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 4.4492 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 4.8158 -3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 4.8543 -4.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2632 4.3427 -3.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 7.0234 -3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 6.6077 -3.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 7.9865 -2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 6.3601 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 6.2995 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 7.6331 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 8.2448 -2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 9.2827 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 9.4534 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 7.7482 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 9.3073 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 8.8775 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 6.9403 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 7.6024 2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 6.1485 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 6.7053 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 4.5324 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 4.2193 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 3.5151 3.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 5.2055 3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 4.6835 4.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 6.0426 4.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 4.8060 5.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 3.1747 7.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 2.9409 7.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 3.3621 5.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7944 0.8645 6.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 0.8827 7.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 1.4507 4.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 -0.0768 4.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 2.5707 4.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 0.9382 4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 1.7236 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 1.9193 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -0.5764 2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 0.0370 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 -1.0893 3.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 -0.4639 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 -3.0009 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 -2.3202 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 -2.6921 1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 1 35107 1 0 35108 1 0 38109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 63150 1 0 63151 1 0 64152 1 0 64153 1 0 64154 1 0 M END