HMDB0114518 RDKit 3D PE-NMe2(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -3.8469 1.6037 9.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 0.2759 10.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -0.6588 9.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 -0.0759 10.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -1.0095 10.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -0.4195 10.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 -0.1014 9.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 -0.2842 8.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -1.1482 8.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -2.3037 7.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -2.9208 7.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 -3.1967 5.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 -2.9149 4.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -2.1728 4.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -0.9176 3.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 -0.6914 2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8341 -1.5069 2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -2.0141 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -0.8833 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 -1.2969 -1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -2.2939 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 -2.1096 -1.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -2.4890 -0.5504 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8024 -1.4763 -2.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 -1.3295 -2.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.4630 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 0.9397 -1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 1.7257 -0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2503 3.3159 -0.3732 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2297 3.3364 -0.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 3.8845 -1.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 4.3696 0.7614 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 5.6406 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 6.6637 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9851 6.4139 1.5686 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0048 6.4602 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 5.3851 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -0.5528 -0.9257 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 -1.1746 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -1.6472 1.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -1.3451 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8116 -2.5390 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 -2.2050 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2933 -1.0721 -2.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7945 -0.7291 -3.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6101 0.2710 -4.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 1.4711 -5.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 2.0402 -4.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 2.3633 -6.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 1.9313 -6.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 1.0456 -5.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -0.1875 -6.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 -0.4998 -6.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 0.4307 -6.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 0.8213 -7.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 0.6882 -7.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 0.1325 -6.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -1.1151 -7.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 -0.9395 -8.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 0.1144 -8.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0469 -0.1038 -7.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 2.3708 10.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7486 1.8675 8.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 1.4956 8.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 0.4440 11.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0384 -0.1750 9.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -0.7693 8.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1508 -1.6401 10.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 0.9662 10.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 -0.0465 11.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -1.9248 10.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -1.3675 9.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -0.2533 11.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.3420 10.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 -0.5424 8.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 0.7166 8.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 -0.7388 8.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -2.8224 7.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -3.9531 7.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -2.4311 7.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 -3.7769 5.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 -3.2679 3.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -1.7711 5.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 -2.7681 4.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 -0.2420 4.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 0.2400 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 -0.8178 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 -2.3620 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -2.7871 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5013 -2.4993 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 -0.2473 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 -0.1927 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -1.5662 -2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 -0.3529 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 -3.2841 -1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -2.5415 -3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 -0.9067 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 -2.3465 -2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 -0.9113 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.9227 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 1.3764 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 4.2633 -2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6541 5.5087 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 6.0055 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 7.6222 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9618 6.8992 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 7.3359 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5531 6.6512 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 5.5338 0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 4.4013 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 5.3992 2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4846 5.6693 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -0.4558 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5929 -1.6450 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3157 -3.4433 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 -2.6289 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8142 -3.1219 -2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 -2.1411 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3384 -1.4679 -2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3392 -0.1775 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -0.5278 -3.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -1.6870 -4.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6713 -0.0322 -4.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0022 2.1068 -5.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2951 1.4531 -4.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 3.0335 -4.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 3.0300 -6.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 2.2474 -7.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 1.5902 -5.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 0.6335 -4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 -0.8456 -6.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -1.4024 -7.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -0.1423 -5.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.3382 -5.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 1.2592 -8.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 1.0304 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 0.8888 -6.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 -0.1162 -5.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 -1.4073 -6.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3998 -1.8837 -7.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 -1.9194 -8.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -0.6712 -9.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5432 1.0906 -8.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 0.1041 -9.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5821 -0.0488 -6.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5373 -1.0805 -7.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8098 0.6999 -7.2316 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 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 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 35 36 1 0 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 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 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 36107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 37112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 M END