HMDB0256162 RDKit 3D PC(18:2(9Z,12Z)/17:0) 135134 0 0 0 0 0 0 0 0999 V2000 3.3295 9.7690 -4.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1647 8.8293 -4.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 7.5437 -5.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 6.7251 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 5.4810 -5.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 4.6667 -5.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 3.4153 -5.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 2.6321 -5.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 2.1643 -4.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 2.4064 -3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 1.9220 -1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 0.9573 -1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 1.4110 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 1.9144 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8653 1.1864 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 -0.1022 -2.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -1.3018 -1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 -1.8018 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -1.1558 -3.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -3.0777 -2.6194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 -3.7600 -3.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 -3.2393 -3.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -4.1275 -4.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 -3.5387 -4.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -4.3886 -5.5027 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7699 -4.3196 -6.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -6.0204 -5.0448 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7407 -3.7509 -5.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -3.7516 -3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4378 -3.1753 -3.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5938 -1.8190 -4.1262 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4024 -1.2284 -4.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6478 -1.6979 -5.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -0.9385 -3.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -3.2018 -2.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -2.1324 -1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -1.0939 -2.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2532 -2.1873 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -1.9917 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -3.1103 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -3.0112 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -3.0839 3.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -4.3534 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -4.4317 4.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 -3.3249 4.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -3.4214 5.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1363 -3.3727 7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 -2.1178 7.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 -0.8608 7.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -0.8435 8.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 0.4296 8.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 1.6650 8.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 1.6448 9.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 9.5591 -3.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 10.8151 -4.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 9.7614 -5.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 9.3091 -5.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 8.6405 -3.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 7.7221 -6.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 6.9510 -5.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 7.2801 -5.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2893 6.4229 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 5.7829 -6.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 4.8970 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 5.0934 -6.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 2.9642 -5.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 1.7388 -6.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 3.2645 -5.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.6076 -4.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 2.9796 -3.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 2.8117 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0263 1.5340 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -0.0398 -1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 0.7136 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 2.2130 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7199 0.6274 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 3.0034 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 2.0984 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 1.8635 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 1.1494 -3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.3548 -3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4506 0.0575 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -2.1516 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 -1.3363 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -3.7829 -4.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -4.8607 -3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -2.2490 -3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -5.1456 -3.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -4.1881 -5.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -3.2634 -3.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -4.8177 -3.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2525 -3.7953 -4.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -3.1950 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -1.5126 -5.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -0.1213 -4.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -1.3770 -4.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2017 -1.9905 -6.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5213 -2.3307 -4.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9292 -0.6063 -5.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 -0.7604 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 0.0322 -3.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -1.3153 -2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 -1.3981 -0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -3.1909 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 -2.2066 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -0.9925 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -4.0623 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -2.9944 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -3.8368 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 -2.0558 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 -2.1698 3.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -3.0912 4.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 -5.2440 3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 -4.4649 2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 -5.4404 4.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 -4.3608 5.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -3.3482 3.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 -2.3531 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 -4.4114 5.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -2.6683 5.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 -3.4305 7.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -4.2317 7.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -2.0600 6.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -2.1932 8.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -0.6376 6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.0203 7.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -1.6758 8.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -0.9867 9.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 0.3400 9.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 0.4912 7.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 1.7180 7.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 2.5349 8.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 2.5307 9.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 1.7777 10.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 0.7364 10.0395 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 3 7 8 1 0 8 9 1 0 9 10 2 3 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 34102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M CHG 2 27 -1 31 1 M END