HMDB0285185 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(16R)/P-16:0) 125124 0 0 0 0 0 0 0 0999 V2000 -14.6346 -4.5878 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2290 -3.3751 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4841 -2.1040 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0662 -2.2813 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1620 -1.1166 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6478 0.1345 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7807 1.3111 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3776 1.0482 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4582 2.2186 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0854 1.9049 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4707 0.6843 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 0.4845 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4563 -0.7348 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -0.6976 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 0.4220 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3099 0.1403 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 1.1464 -2.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 1.3464 -1.8694 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5293 0.0485 -1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 0.2455 -1.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 -0.7897 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 -1.8635 -1.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -0.6718 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 -1.9035 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -2.2364 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 -1.5675 -2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1145 -0.6433 -1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2654 0.0531 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4717 0.0130 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5678 -0.6331 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8485 -1.5702 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9786 -1.0624 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1312 -1.6584 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3844 -2.9824 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4086 -3.4131 -0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3548 -2.7891 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6536 -1.3673 -0.0682 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9276 -0.8816 -1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 -0.5916 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8488 0.8711 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0657 1.4599 1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3881 1.2059 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 1.6782 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.8830 0.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0883 2.2515 1.9151 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5433 1.9367 2.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 1.3780 3.0445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 3.8936 2.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 4.6394 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 6.1181 1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 6.9345 0.3297 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4328 -5.3424 -0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9050 -5.0792 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1643 -4.2997 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2879 -3.2825 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2415 -3.4860 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0015 -1.2312 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5417 -2.0482 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6582 -3.1676 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9881 -2.4647 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1247 -0.9470 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1429 -1.4110 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6172 -0.0509 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6997 0.3190 0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2063 2.1934 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7826 1.4833 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9863 0.2094 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3610 0.8714 1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4991 2.4859 -0.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8275 3.0951 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 2.7666 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0832 1.7690 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0738 -0.2157 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3382 0.7764 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 1.3858 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2355 0.3195 2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -0.9266 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 -1.6310 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -0.6165 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 -1.6706 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 1.4557 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -0.8732 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 2.1728 -2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 -0.7182 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 -0.2400 -2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.2918 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 -0.6716 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3193 -2.0334 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 -2.7470 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -3.3941 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -2.1968 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -1.8941 -3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8131 -0.3158 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1532 1.1800 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 -0.0419 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4127 0.6953 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3977 -0.5174 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1363 -2.5250 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0473 -1.8369 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8574 -0.0396 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8413 -1.0934 -2.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3996 -3.4516 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 -3.6881 -2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 -4.5491 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0469 -3.4003 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6732 -1.2559 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6304 0.0334 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9380 -0.9675 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6570 -0.8708 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9856 1.2138 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5780 1.3904 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1249 1.2001 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9767 2.5986 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9689 0.4235 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0613 2.1376 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 0.9712 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 2.5940 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 0.8885 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 0.9984 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 4.4849 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 4.3709 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 6.3027 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 6.3871 2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 6.3062 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 7.4915 0.4938 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 1 0 10 11 1 0 11 12 1 0 12 13 1 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 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 18 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 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 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 18 83 1 6 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 1 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 47119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 M END