HMDB0114645 RDKit 3D PE-NMe2(24:1(15Z)/20:2(11Z,14Z)) 157156 0 0 0 0 0 0 0 0999 V2000 3.3416 7.0988 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 6.1527 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 5.8124 1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 5.1635 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 4.8342 3.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8631 3.9201 3.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8081 2.7436 4.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 2.1382 5.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 1.8685 6.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 0.6774 7.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -0.5167 6.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -1.4234 6.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 -2.7041 5.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.4148 4.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 -1.6040 3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -2.1671 2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 -3.4927 1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -3.8565 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -5.1175 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 -5.2159 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -5.9864 -1.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -4.5051 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 -4.5194 -2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 -3.2411 -2.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -2.2999 -3.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -2.4874 -3.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6281 -3.6784 -4.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5656 -1.4919 -4.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -1.2629 -3.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 -0.7999 -2.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 -0.5395 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.1079 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 0.1225 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 1.2586 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8717 2.5633 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 3.7337 -0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1314 3.6178 -1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7725 4.6160 -2.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1222 4.5048 -4.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 5.1839 -4.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 5.0237 -3.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 4.5438 -3.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 4.0315 -4.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 2.5898 -4.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 2.5559 -3.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 1.1275 -3.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 1.0122 -2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 1.8267 -3.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 1.4061 -4.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 -0.0250 -4.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 -5.4053 -1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -6.6290 -1.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 -7.7737 -0.8936 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9697 -9.1252 -0.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -7.8895 -2.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -7.3155 0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -6.8089 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 -6.3948 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 -5.3673 2.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -5.8406 2.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -4.1271 1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3241 6.5761 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 7.7322 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2895 7.7988 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 5.2501 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 6.6470 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 5.0612 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1839 6.7138 2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 5.8276 2.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 4.2054 2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 4.6324 4.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 5.8346 4.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 4.2403 3.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 2.1225 4.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 2.8677 5.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2587 1.2626 4.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 2.7635 7.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 0.5928 7.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 -0.3899 5.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 -1.0761 7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -1.7084 7.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 -0.9023 5.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -3.2090 5.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -3.3364 5.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -3.4302 3.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -1.9946 4.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -1.2944 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 -0.6393 3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -2.2693 3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -1.4502 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -3.3450 0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 -4.2698 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 -3.0240 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -3.7678 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 -6.0240 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 -5.2297 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 -5.1729 -2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -3.4014 -3.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8803 -2.7281 -1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 -0.5106 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 -1.8517 -5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -2.1129 -3.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -0.3999 -4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 -1.6575 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 0.1085 -2.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 0.2412 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -1.4322 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -0.9386 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 0.7743 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3768 -0.8235 0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 0.4209 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 1.0627 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5486 1.3273 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 2.8085 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7999 2.5728 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 4.6539 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 3.6515 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 3.5911 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5342 2.5679 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 5.6379 -2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8424 4.2789 -3.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 3.4109 -4.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8196 4.8580 -5.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 5.0116 -5.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 6.3166 -4.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9065 5.4200 -2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 4.5118 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 4.6240 -5.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 3.9757 -5.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 1.8910 -4.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 2.2645 -5.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 2.8741 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 3.1879 -4.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 0.5628 -3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.6193 -4.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 -0.0602 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 1.2655 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 2.9008 -3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 1.6615 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 1.6563 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8588 2.0357 -4.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3311 -0.1245 -5.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 -0.4697 -3.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -0.6182 -5.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 -4.9088 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 -5.4631 -2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -7.0855 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 -6.0267 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2463 -7.6536 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 -5.9475 1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4832 -7.2226 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -5.4333 3.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -6.9322 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 -5.4127 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 -4.0166 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -4.0542 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 -3.3003 2.3823 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 2 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 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 23 97 1 0 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 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 42127 1 0 43128 1 0 43129 1 0 44130 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 50144 1 0 51145 1 0 51146 1 0 55147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 60152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END