HMDB0009767 RDKit 3D PE(24:1(15Z)/22:2(13Z,16Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -1.9188 -3.6532 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -2.2425 1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4752 -1.3526 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 0.0505 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 0.7876 1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 0.8418 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 1.9375 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 3.3442 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2177 3.7600 1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 4.5625 2.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 5.1030 3.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 6.5945 3.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 7.3404 2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 7.2899 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 7.8984 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 7.7608 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 8.4053 1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 8.3696 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 7.1064 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 5.9768 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 6.2594 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 4.9783 -2.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 3.9639 -1.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 4.8867 -3.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 3.7021 -4.1434 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7942 3.0813 -5.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 2.7345 -4.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4682 1.8802 -3.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.3531 -3.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 1.5739 -3.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 0.8010 -2.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 1.6729 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8801 1.1640 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.1840 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -1.0931 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -2.0028 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -2.4672 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 -3.3286 2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 -4.5848 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -5.3874 1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -6.5952 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 -6.2565 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 -7.5436 -1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 -7.7204 -2.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2964 -6.8041 -2.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 -7.2993 -2.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -8.5640 -2.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -9.1555 -2.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0197 -9.5272 -1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 -10.5653 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4611 -10.9162 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -11.9627 1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4469 3.7928 -4.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2703 4.1216 -3.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 4.1453 -4.0904 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9516 3.3891 -5.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 5.7233 -4.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 3.3374 -2.9685 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 2.1317 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 1.4178 -2.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7429 0.1735 -2.9346 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 -3.5745 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 -4.1112 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -4.3042 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -1.9127 2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -2.3257 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -1.3839 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7376 -1.7852 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.6104 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 0.1009 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 0.1177 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 1.7133 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 -0.1515 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0266 1.7476 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3738 3.9559 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 3.6687 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 3.4587 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 4.8313 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 4.7153 4.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 4.7637 3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 6.9130 3.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6984 6.9533 4.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 6.8364 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 8.3906 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 6.3090 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2717 7.9421 0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 8.9971 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4293 7.5262 2.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 8.3449 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 6.7263 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 9.4827 1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 8.0152 2.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 9.0606 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 8.8992 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 6.7562 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 7.3768 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 5.2016 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 5.3838 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 6.6610 -2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 6.9838 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 2.9551 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 2.1884 -5.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 3.7678 -6.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 2.5008 -3.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 1.0112 -4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 0.4919 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -0.1243 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 2.5704 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 2.1823 -1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 0.8047 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 2.0415 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 0.7497 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 0.0192 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 -0.8169 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -1.5403 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -1.4683 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 -2.8877 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -1.5857 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -3.0178 2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 -2.8152 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 -3.6666 3.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0393 -4.2860 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 -5.2167 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 -4.7776 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 -5.7773 2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -7.2646 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 -7.2407 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6387 -5.7817 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 -5.6209 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -8.3615 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -8.7217 -2.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -5.7843 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 -6.6962 -3.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -6.4733 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -7.5026 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 -9.3210 -2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2109 -8.3960 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 -10.0482 -3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4807 -8.3978 -2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 -8.6680 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -10.0253 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 -10.2234 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -11.5265 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -11.3499 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -10.0271 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -12.0425 2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 -12.9335 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 -11.7696 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 4.6209 -5.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 2.8694 -5.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3587 6.1463 -3.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4953 1.5012 -3.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9591 2.3504 -4.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 1.1954 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 2.1430 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8089 0.0975 -3.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1201 -0.6062 -2.6225 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 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 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 57151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 M END