HMDB0285485 RDKit 3D PE(P-18:1(9Z)/20:4(6E,8Z,11Z,14Z)-OH(5S)) 129128 0 0 0 0 0 0 0 0999 V2000 -15.3953 1.1490 -0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1899 0.6895 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2476 1.8307 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9956 1.7040 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9911 0.6916 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4333 -0.6945 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4243 -1.5345 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9755 -1.1986 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8286 -1.8369 -2.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0018 -2.6932 -2.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9410 -3.2779 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8141 -3.0968 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7873 -2.3600 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4569 -1.5323 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3268 -0.8306 -1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0179 0.0142 -2.4221 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6802 -0.8050 -3.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 0.9199 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 1.7640 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 2.7086 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 1.9529 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 2.5874 0.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 0.5946 0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9295 -0.1013 0.7151 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4628 -1.1446 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 -0.5718 -1.5027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 0.3439 -1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 1.4120 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 2.3540 -2.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 1.8503 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 0.6539 -2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1727 0.1655 -1.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 1.1372 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 0.4196 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 1.3003 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 1.0812 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1196 -0.1312 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8471 0.2094 -1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0657 1.0532 -1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0932 0.3808 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5504 -0.9211 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5171 -1.6890 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8092 -1.0392 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7399 0.2030 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -0.6506 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -1.3405 2.4889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 -1.9510 4.0415 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8351 -3.2222 4.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -2.2790 4.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.8758 5.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -1.2574 5.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 -0.2038 6.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -0.1063 7.7514 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2027 1.0426 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2624 0.4837 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6195 2.2144 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5990 0.5381 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8505 -0.2483 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0034 2.2123 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8260 2.7105 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1645 1.6319 1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4682 2.7163 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1579 0.7655 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4325 0.9655 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8026 -1.0709 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8518 -2.5362 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9747 -0.0709 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8635 -1.4828 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6011 -1.5495 -3.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2111 -3.0875 -2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8578 -3.1850 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9645 -4.4634 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8173 -3.6387 1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0086 -2.3442 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0963 -1.4022 -2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 -0.8911 -0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8838 0.6806 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5311 -1.7308 -3.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0441 0.2376 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 1.5426 -2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 1.0954 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 2.3806 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 3.3407 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 3.4085 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0988 0.6561 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3419 -1.7739 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 -1.8311 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 0.0924 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3231 1.6453 -2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 3.2464 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 2.7637 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 1.6132 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 2.6916 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 1.0340 -2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -0.1696 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5897 -0.7511 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7034 -0.2013 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9201 2.0763 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 1.4184 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 -0.5863 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 0.2766 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1269 2.2376 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 1.8590 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 -0.8839 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8724 -0.6363 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1835 0.7751 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 -0.7028 -2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 1.2059 -2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7613 2.0359 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9407 1.1200 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6579 0.2250 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9682 -0.7261 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6538 -1.5958 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9886 -1.8374 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6572 -2.7127 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3493 -0.8235 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4213 -1.8255 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0707 1.1278 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5328 0.0786 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8087 0.3026 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -1.4096 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 0.1250 2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 -1.6792 5.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -1.2364 4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 -2.2313 6.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -0.4466 7.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 0.8104 6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 0.7545 7.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 -0.9234 7.7023 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 2 0 15 16 1 0 16 17 1 0 16 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 1 0 27 28 2 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 2 0 36 37 1 0 37 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 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 6 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 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 43116 1 0 43117 1 0 44118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 49123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 M END