HMDB0114051 RDKit 3D PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -3.9290 0.7785 -11.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.2005 -11.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 0.6117 -10.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 -0.1911 -9.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 -1.3724 -8.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 -2.1665 -7.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -1.3397 -6.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -2.2030 -6.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6788 -1.3284 -5.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 -1.5417 -3.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -2.7340 -3.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -3.4038 -2.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 -3.5684 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -3.1045 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 -4.3577 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -4.4788 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -3.4500 2.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -3.0527 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -1.9738 4.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -1.5590 5.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 -2.0881 6.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -0.6183 5.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 -0.2839 6.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 1.1686 6.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 1.7676 6.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 3.1372 7.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 3.8089 7.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 3.7882 7.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 4.1132 6.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 4.7768 7.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 5.0479 5.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 5.9424 4.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 6.1723 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 4.8838 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 5.0946 1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 4.8085 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 4.2382 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 2.8681 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.3504 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 3.1920 -2.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 3.3695 -3.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 4.2051 -4.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 5.5960 -3.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 6.4561 -4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 -0.7706 5.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5565 -2.1580 5.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0784 -2.6367 4.9947 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2141 -2.5071 3.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2454 -1.7297 5.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2363 -4.2771 5.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4561 -5.0295 4.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 -6.4983 4.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 -6.8736 6.1927 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -6.6610 6.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -6.3636 7.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 1.3133 -10.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 1.5663 -12.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 0.2798 -12.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 -0.5727 -11.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -0.9884 -10.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 0.9629 -9.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 1.4675 -10.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 0.4735 -8.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -0.5424 -9.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 -2.0456 -9.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 -1.0637 -7.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -2.5147 -8.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 -3.0090 -7.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 -0.9407 -6.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5093 -0.5084 -7.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 -3.0679 -5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 -2.4828 -6.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 -0.4324 -5.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.8498 -3.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 -2.3108 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -3.4753 -3.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 -3.7534 -3.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 -4.0661 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 -2.7238 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -2.4017 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -5.1459 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -5.4196 2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -3.9786 3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 -2.5433 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -2.7456 3.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0572 -3.9857 4.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.1348 3.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5919 -2.3730 5.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -0.8386 7.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 1.2895 7.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 1.7435 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 4.7359 8.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 3.1802 8.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 3.1508 6.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 4.7568 5.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0235 5.7968 7.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 4.2665 7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 4.0424 5.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 5.4633 6.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6994 5.5619 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 6.9433 5.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 6.6686 4.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 6.8333 2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 4.3045 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 4.2414 2.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 5.5301 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5842 4.9966 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 4.2111 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 4.8932 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0989 2.2044 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5848 2.8918 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 1.3290 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 2.1890 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 4.1836 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 2.7735 -2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 3.8180 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 2.3380 -3.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 4.3264 -5.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 3.7921 -4.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 6.0123 -3.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 5.5398 -2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 7.4541 -4.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 6.0158 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0358 6.5023 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3965 -0.4638 6.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 -0.3220 4.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1383 -1.8595 5.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4117 -4.6313 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8175 -4.8711 3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 -6.9927 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 -6.8690 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -5.7542 5.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -6.5308 7.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -7.5828 6.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6606 -6.9270 8.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9097 -6.3893 7.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 -5.3098 7.4407 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 1 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 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 2 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 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 54132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END