HMDB0284045 RDKit 3D PE(20:4(5Z,8Z,10E,14Z)-OH(12S)/22:4(7Z,10Z,13Z,16Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -17.1983 3.5415 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0782 2.6977 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3330 1.2556 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4624 0.2372 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0282 0.1186 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1442 1.2055 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1293 1.0748 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8028 -0.1273 -1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5733 -0.8479 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5300 -0.6128 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4448 0.5545 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 1.4791 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3996 1.7923 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2048 1.3103 1.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0857 0.4681 2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1751 -0.0369 1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9954 0.0882 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -1.2460 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 -1.3989 -1.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -1.0540 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4738 0.2637 -3.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 1.0739 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 2.2070 -1.8628 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 0.7009 -1.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8815 1.4370 -0.6925 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5175 1.8000 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2237 0.6244 -1.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 0.5220 -1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 1.5989 -2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -0.8228 -2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -1.4829 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 -0.6871 -0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8906 -0.5446 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 -1.0272 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5304 -1.7576 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9249 -3.1435 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1044 -3.6063 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1693 -2.8832 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 -3.4834 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 -2.7733 0.9860 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1111 -1.5203 1.4503 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6815 -2.6456 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7907 -1.9425 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2669 -0.8191 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8052 -0.1025 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3294 1.2927 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4195 2.0971 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8939 3.4396 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3620 4.2635 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7799 0.7456 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 1.5251 1.5575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 0.8557 3.0699 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8230 1.4564 4.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 1.1191 3.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -0.8109 3.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 -1.5066 3.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -2.9862 3.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -3.4048 2.1268 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.3425 3.2467 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1393 3.3960 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9213 4.6042 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0183 3.0144 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1448 3.0297 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4277 1.0779 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4037 1.0678 1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6066 0.2873 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9076 -0.8137 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0131 0.1123 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6326 -0.9163 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2512 2.2000 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5689 1.9849 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6660 -0.8710 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9544 0.0301 -2.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4985 -1.7803 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6449 -1.3046 -0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 0.0293 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3566 0.9490 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4308 1.9071 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6797 2.5561 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1258 2.3083 2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1342 0.8994 2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 0.2203 3.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3925 -0.6665 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 0.4378 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5738 0.7912 -0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0116 -1.7587 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2132 -1.8733 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0245 -0.8730 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4262 -2.4980 -2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -1.5869 -3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 -1.7666 -2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 0.1250 -4.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 0.8732 -3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 2.3862 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 2.2987 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 2.5168 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1616 -1.4679 -2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 -0.7950 -3.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -1.6205 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -2.5000 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4657 0.3689 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1445 -1.0335 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 0.0049 -2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7981 -0.8671 -2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8816 -1.7278 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4768 -1.2383 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1562 -3.7872 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2972 -4.6471 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 -1.8744 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4791 -4.5013 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 -3.3701 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6556 -1.6373 2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0298 -3.7194 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -2.3263 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2138 -2.3965 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0993 -0.3771 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9906 -0.5327 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7066 0.0887 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4949 1.1402 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9932 1.8016 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8209 1.6010 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2361 2.2555 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 4.0235 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1291 3.3047 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3329 3.7771 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3164 4.6271 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9720 5.2032 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -0.2536 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.6187 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 2.0127 3.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -1.1707 4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -1.3028 2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -3.2043 4.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -3.5644 3.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 -2.6790 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 -3.4463 1.5541 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 1 41112 1 0 42113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 M END