HMDB0113396 RDKit 3D PE-NMe(20:3(8Z,11Z,14Z)/15:0) 127126 0 0 0 0 0 0 0 0999 V2000 -11.7479 5.3180 -1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7379 5.2767 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4053 3.8548 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4014 3.7454 1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0867 2.2678 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5405 1.7429 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0588 0.7621 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2361 0.0278 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2583 -1.3821 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2382 -2.1849 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8141 -1.9058 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3927 -2.6992 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 -3.6153 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -4.0069 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2404 -3.8988 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 -2.5938 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 -1.8236 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2288 -0.5611 -1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 0.5387 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 0.1936 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 0.4416 1.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 -0.4132 0.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -0.7983 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6189 -1.4574 1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 -2.6230 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -3.3067 -0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -4.5391 -1.1430 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3643 -4.0883 -2.5371 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 -4.7547 -1.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -6.0069 -0.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5506 -5.9764 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -7.3785 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -8.3366 0.6444 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 -8.5079 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -0.5758 0.5312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -0.4817 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1897 -1.1612 1.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 0.4194 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 0.1379 0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 1.0089 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 0.6294 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6885 0.7895 2.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 2.0768 2.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3585 3.2165 2.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2074 3.7707 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1721 4.9317 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 5.4735 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2301 4.4660 -1.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6052 3.9014 -1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6399 4.9766 -1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0045 4.2864 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6020 4.3925 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7827 5.3722 -0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5322 6.1700 -1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8459 5.8520 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1554 5.8341 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3216 3.3263 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9067 3.4235 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4602 4.2114 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7135 4.2751 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8940 1.7315 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1945 2.3266 2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6212 2.2349 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5421 0.5244 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0612 0.2037 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7534 0.5448 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2927 -1.8053 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5080 -3.2523 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3196 -2.2970 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4754 -0.8956 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9242 -2.4707 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 -4.1087 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9467 -3.4842 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8928 -5.1356 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6971 -4.3561 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9013 -4.6366 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 -1.9417 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -2.7538 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -1.5746 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 -2.4706 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 -0.1676 -2.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -0.7944 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2841 0.9219 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6367 1.3921 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -1.5252 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 0.0918 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -1.8931 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -2.2146 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -3.2906 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -5.7287 -1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -5.7608 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -5.2614 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 -7.3398 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 -7.6013 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -8.0875 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 -8.2612 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -7.8635 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -9.5656 -0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 0.2922 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 1.4918 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -0.9334 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 0.2788 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1358 0.8013 -1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9006 2.0819 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3054 0.9152 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 -0.5500 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7849 0.4807 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 -0.0534 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 2.4509 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 1.9230 3.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4386 2.8804 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1827 4.0361 3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 3.0250 0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 4.2123 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2224 4.6521 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8711 5.7335 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6214 6.3776 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 5.8120 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 5.0237 -2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4236 3.6974 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7897 3.1149 -2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7726 3.3941 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5413 5.7346 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6129 5.4224 -2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3180 3.9559 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8581 3.3435 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 4.9378 -1.1069 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 29 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 34 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 M END