HMDB0114456 RDKit 3D PE-NMe2(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 145144 0 0 0 0 0 0 0 0999 V2000 7.7677 -3.3750 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9918 -2.9153 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 -3.8964 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4477 -3.6544 -2.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8689 -2.2764 -2.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -1.8717 -3.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2191 -1.5676 -4.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 -1.5770 -4.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1897 -2.5632 -5.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 -2.2257 -6.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.8396 -6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -0.4339 -7.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 0.5977 -8.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 1.5177 -7.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 2.8901 -7.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 3.6086 -6.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 3.2111 -5.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 4.1154 -4.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 3.7132 -3.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 2.3521 -2.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8015 1.5946 -3.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 1.8397 -1.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 0.5688 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.1481 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 0.6711 -0.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 0.4329 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -0.5968 -0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0131 1.4725 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 2.7630 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 4.0311 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 4.2652 2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 3.5032 2.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 3.9412 4.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 3.6446 5.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 2.1539 5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 1.3940 5.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 -0.0754 5.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 -0.6326 4.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 -2.0595 4.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0967 -2.9217 3.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4256 -2.5296 3.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 -2.9201 2.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1813 -2.4635 1.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 -2.7736 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 -2.1437 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -0.6251 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2301 -0.0917 -1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 1.4264 -1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 0.5364 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 1.1236 1.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 1.1250 3.0053 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0641 0.5196 3.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 2.7558 3.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 0.2941 3.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -0.6371 4.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 -1.3861 4.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2317 -2.1386 3.5288 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 -2.8046 4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -3.1772 3.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8742 -4.4689 0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8343 -2.9951 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 -2.9495 1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 -1.8667 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1275 -3.0418 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7882 -4.9280 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0466 -4.4500 -3.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2603 -1.5476 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8047 -2.4159 -2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -1.8320 -4.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -1.2774 -5.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -0.5940 -4.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4909 -2.0094 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 -3.6209 -5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 -2.9945 -7.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6876 -0.9855 -6.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -0.1541 -5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -1.0193 -8.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 0.8557 -9.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 1.1488 -6.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 1.4476 -7.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 3.2957 -8.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1218 4.6366 -7.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 2.1828 -5.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 3.4165 -5.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 3.9899 -4.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 5.1724 -4.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 3.9109 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 4.4490 -2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2317 -0.0122 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 -1.1425 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -0.3037 -2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 1.4171 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 1.1689 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 2.8711 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 2.6920 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 4.2492 0.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 4.8922 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 4.2069 2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 5.3832 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 2.4238 2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1998 3.7032 2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3342 5.0533 4.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 3.5381 4.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1077 4.1730 4.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 4.0229 6.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 1.8583 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 2.0398 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6914 1.5510 5.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 1.7175 6.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 -0.2175 6.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -0.6545 6.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -0.1468 3.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -0.2371 3.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 -2.4053 4.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 -4.0178 3.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7844 -1.5358 3.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1336 -3.2095 4.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 -2.5013 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -4.0266 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1765 -1.3516 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -2.8432 2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7544 -2.3626 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 -3.8642 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4802 -2.4076 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9164 -2.4771 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0586 -0.3159 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4767 -0.2677 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7277 -0.4114 -2.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 -0.5152 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3124 1.8184 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1317 1.8028 -2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2328 1.7992 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 1.0763 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -0.5039 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 3.0694 3.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 -1.3820 4.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 -0.0862 5.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -2.1280 5.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -0.7379 5.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1349 -3.3580 4.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -3.4437 3.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -2.0296 4.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -3.5943 3.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6551 -2.8478 2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -4.0500 2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 4 66 1 0 5 67 1 0 5 68 1 0 6 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 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 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 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M END