HMDB0113421 RDKit 3D PE-NMe(20:3(8Z,11Z,14Z)/24:1(15Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -6.1014 3.4404 7.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 3.1918 5.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 3.6956 4.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 3.4756 3.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 3.9949 2.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 3.3974 3.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 2.8104 2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 2.7099 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 1.3478 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 0.8129 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9887 1.5171 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 1.7404 -1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4093 1.2473 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4105 0.4065 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6794 -0.8568 -2.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6026 -1.7956 -2.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -1.2749 -3.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 -2.3719 -4.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6266 -1.7579 -5.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -2.7402 -5.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -3.5113 -6.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 -2.8909 -5.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -3.8360 -5.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -3.7443 -4.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -3.5231 -3.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -2.3032 -3.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -1.6174 -1.6849 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7984 -2.3930 -1.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -1.4847 -0.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -0.0462 -2.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 0.4094 -3.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 1.7740 -3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 2.7352 -2.5128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 4.0654 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6154 -2.5806 -4.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -2.6484 -4.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -3.7224 -4.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -1.3980 -4.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 -1.3589 -3.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3757 -0.0964 -2.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 -0.1225 -1.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 1.1955 -1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 1.2814 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8641 1.1808 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 2.2487 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2461 1.9909 2.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 3.0883 2.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 3.0412 4.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 1.9745 4.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 1.9481 4.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 0.9408 4.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 -0.0501 4.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 -0.3899 3.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -1.7748 2.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 -2.1433 2.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -3.5865 2.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -4.0592 2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -5.4825 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 -5.9813 2.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0149 -6.0134 3.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 4.0914 7.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2066 2.4522 7.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1288 3.8311 7.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 3.7349 6.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2185 2.1310 5.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5899 4.7907 4.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3024 3.1446 4.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9114 2.3209 3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7795 3.7485 2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 5.0974 3.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6756 4.2360 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 3.4103 4.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 2.3604 2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 3.1522 0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 3.3543 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 0.7187 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -0.2263 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 2.4796 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7777 0.8925 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6825 2.3486 -2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5662 1.4946 -3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4037 0.9506 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1405 0.0783 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2563 -0.5439 -3.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5055 -1.4527 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 -2.7812 -3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 -2.0725 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 -0.4990 -3.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0986 -0.9189 -4.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0988 -3.2575 -4.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -2.6696 -3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -0.8527 -4.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -1.4633 -6.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 -4.8526 -5.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1405 -3.7244 -6.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -4.6349 -4.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -4.3516 -2.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2332 -3.5544 -2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -1.6370 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 0.4701 -2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 -0.3282 -4.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 1.8199 -3.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6695 2.1759 -4.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 2.5163 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 4.6613 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 4.6575 -3.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 4.0207 -3.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1884 -0.5123 -4.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -1.4562 -5.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2548 -2.2497 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -1.4123 -2.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 0.8087 -2.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 0.0704 -3.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 -0.1959 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 -0.9796 -1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 1.3564 -2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 1.9757 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 2.2930 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 0.5058 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 0.2008 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4954 1.1524 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 2.1726 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 3.2655 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 1.0045 2.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 1.9164 3.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 3.0653 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 4.0714 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 4.0585 4.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 3.1798 5.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 0.9682 4.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8275 2.0123 5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 1.7829 3.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 2.9540 4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 1.0656 6.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4992 -0.6954 5.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.3190 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -0.2667 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -2.0757 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -2.4868 3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 -2.1459 4.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 -1.4922 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 -3.5720 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -4.2297 2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -4.0156 3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 -3.3842 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -6.1004 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -5.4286 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 -6.9631 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -5.2028 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5023 -5.1018 4.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -6.1612 4.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 -6.9107 3.8498 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M END