HMDB0114454 RDKit 3D PE-NMe2(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -1.8056 -3.2854 1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -4.3473 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 -5.4165 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -4.7790 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 -5.8638 1.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -5.2046 2.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -5.1492 3.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -5.7117 4.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -6.5066 4.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 -6.2141 5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -4.9361 6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 -4.2947 5.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 -3.1514 5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 -2.3185 5.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.0510 5.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 0.1043 5.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1511 0.3086 3.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 0.9249 3.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 1.1711 1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 2.1181 1.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 1.7406 0.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 3.4134 1.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 4.3495 1.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 5.6842 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 5.8500 0.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 5.5710 -1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0009 5.0538 -1.6097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 5.8258 -2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 6.2785 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 5.2606 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 3.9980 -1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 3.0284 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5225 1.7403 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 0.8932 -2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 0.4753 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3657 -0.4184 -2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 0.2222 -3.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -0.7002 -3.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 -0.0174 -5.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5052 -0.5350 -6.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -1.8807 -6.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3211 -1.8830 -7.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 -3.3485 -7.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -3.5504 -8.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -2.8322 -7.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3243 -3.4012 -6.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5011 -2.7741 -5.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7955 -3.0080 -6.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 4.5860 2.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 5.5370 2.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 5.7203 3.8053 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8001 6.8376 3.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 6.2263 5.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 4.2516 4.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 4.2615 5.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9298 2.9724 5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 2.6243 4.6726 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0949 3.5144 4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 2.6210 3.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 -2.8609 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 -3.7480 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -2.5263 1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -4.7524 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 -3.8238 -0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -6.2265 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 -5.8265 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4709 -3.9886 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 -4.3171 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9537 -6.4363 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -6.5077 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -4.7085 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -4.5880 3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 -6.3586 5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -4.8850 5.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 -7.5277 4.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -6.9325 5.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -4.3177 6.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 -5.2098 7.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 -4.8958 6.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -2.7615 5.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -2.7781 5.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -2.1828 3.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -1.0988 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 1.0450 5.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 1.1249 3.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 -0.5087 3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 1.8700 3.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 0.2039 3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1283 1.4813 1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 0.1620 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 3.9170 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 6.3573 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 6.1081 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 4.9262 -3.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 6.6298 -3.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 7.2195 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0286 6.4741 -2.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 5.0123 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1081 5.7045 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1832 4.2300 -2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 3.6231 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 3.5433 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 2.9040 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0814 1.1804 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3252 1.9764 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 -0.0243 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 1.4016 -3.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 1.3937 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 -0.0595 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7699 -1.4383 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.5371 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3073 1.1480 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 0.3591 -4.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -0.7588 -3.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -1.6618 -4.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.9889 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 0.0452 -7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1822 -2.5084 -5.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -2.4112 -7.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 -1.2706 -6.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -1.5026 -8.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -3.8480 -6.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -3.8350 -8.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.2514 -9.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 -4.6236 -8.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0652 -3.1815 -8.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -1.7414 -7.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -3.1627 -5.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 -4.4869 -6.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 -1.6638 -5.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -3.1429 -4.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 -2.1823 -7.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -3.9921 -6.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6087 -2.9726 -5.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 4.9769 3.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 3.6418 2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 5.6644 5.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 5.0869 5.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 4.3625 6.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 3.0302 6.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 2.1613 5.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7389 4.5453 4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8665 3.2570 3.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 3.4753 5.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 2.2196 3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 3.6220 2.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1285 1.9670 2.7291 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 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 2 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 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 53137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 58142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M END