HMDB0260795 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)-OH(15S)/15:0) 123122 0 0 0 0 0 0 0 0999 V2000 -14.8896 -0.5214 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4645 -0.0662 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6652 1.2237 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4488 0.9565 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5792 2.1938 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0763 2.6849 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2259 3.8824 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0143 3.8959 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8872 2.9734 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1047 1.5256 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8477 0.7007 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6853 1.0812 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 0.1790 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 0.5935 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -0.2929 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 -1.0308 1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -0.3078 -0.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -1.1308 -0.6418 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6249 -0.4410 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1796 0.6094 -0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 0.4554 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7637 -0.6312 1.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 1.6638 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 2.5160 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 1.7592 -0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 1.4286 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4651 0.2140 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -0.9912 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 -1.9253 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 -1.8455 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9685 -0.7354 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -0.2139 -1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -0.2639 -2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 -0.7840 -1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0607 -0.7699 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0461 -1.3084 -0.4481 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9230 -2.6971 -0.3464 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -0.7103 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9909 0.7817 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3582 1.2076 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 2.7271 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8454 3.1529 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -2.2426 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 -2.9058 -0.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 -4.1786 -1.6604 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5718 -5.0554 -2.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 -3.6105 -2.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 -5.1559 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 -4.6576 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -5.5286 1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9854 -6.8410 1.5772 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.8231 -1.1230 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0880 -1.1903 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0040 0.3715 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3492 0.0668 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8545 -0.8864 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4663 1.6598 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3070 1.9537 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8014 0.1707 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7418 0.6593 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1984 3.0286 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7326 1.9281 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0516 3.0917 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6887 1.9072 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9133 4.7278 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9614 4.2773 -1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6126 4.9750 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2439 3.7993 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0151 3.3476 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5714 3.1046 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8709 1.0865 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4123 1.2664 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1515 -0.3549 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6238 0.8077 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 2.1337 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9691 0.8570 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 0.1421 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7963 -0.8558 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 1.6638 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 0.5444 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 -1.6877 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -0.1556 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4516 -1.2047 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 2.1731 1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 1.3895 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 3.4054 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 2.8716 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 2.5213 -1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 0.9362 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 2.2687 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 0.1506 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 -1.6366 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 -0.8456 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -2.8944 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4711 -2.7220 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4965 0.1272 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7295 -1.1052 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 0.1754 -2.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1523 0.1321 -3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4755 -1.1756 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 -0.3744 -2.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 -1.0562 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9926 -2.8878 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8708 -1.0091 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6215 -1.1559 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2652 1.1909 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8008 1.1999 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5242 0.9096 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1663 0.7673 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7129 3.1722 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 3.0808 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5146 3.2227 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7316 4.1472 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2751 2.3872 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -1.7544 -2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 -2.9080 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -3.3731 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7406 -4.5811 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1996 -3.6349 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6475 -5.5812 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 -5.0501 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -6.7503 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4757 -7.4093 2.3122 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 15 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 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 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 18 81 1 1 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 6 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 47117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 M END