HMDB0285353 RDKit 3D PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/P-18:0) 133132 0 0 0 0 0 0 0 0999 V2000 -15.4890 3.2919 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0578 3.8030 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8576 4.6242 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7237 4.3923 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4435 3.2657 1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4513 2.2708 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7262 2.1174 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6864 2.8940 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0604 2.2172 -2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4775 1.0443 -2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7478 -0.0892 -1.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9115 -1.2194 -1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0534 -1.8962 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7973 -1.6271 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9267 -2.2535 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0762 -3.3381 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8376 -4.2360 -0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9022 -2.9063 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -1.9685 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7376 -2.2806 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -3.5293 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 -3.2585 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9189 -2.3113 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -1.2829 -1.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 -2.5142 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -1.5715 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -1.5304 0.4169 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5646 -2.8703 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -3.1651 1.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -4.6183 1.8123 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2759 -5.4136 2.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4555 -4.3092 2.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6119 -5.4454 0.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -6.8305 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -7.4259 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2192 -6.9636 -1.5057 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -0.5346 0.9271 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 -0.4026 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 0.3113 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 0.5286 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2728 0.1935 -1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.0937 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8118 2.5276 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 3.4110 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 3.4897 0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5656 2.3714 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 1.5996 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9193 0.4116 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1487 0.6324 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1681 1.5594 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3349 1.6353 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5086 2.4284 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4744 3.8792 0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5687 4.4706 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8641 3.9453 -1.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1669 4.0429 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5955 3.2451 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0456 2.3584 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0069 2.9622 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9282 4.4439 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8949 5.5467 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9209 5.1849 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4200 2.7400 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1541 3.6850 2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2837 1.4921 2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9608 1.2586 0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5932 3.2746 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2986 3.8355 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9551 2.8803 -3.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6952 0.7971 -3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8239 -0.4610 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7698 0.1169 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0729 -1.4818 -3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5475 -2.7053 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4279 -0.8430 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8782 -1.8909 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7005 -3.9578 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5891 -4.6178 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3513 -2.3632 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3696 -3.7416 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3919 -0.9799 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1419 -1.4955 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5153 -3.8810 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6675 -4.3673 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 -2.7995 -1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 -4.1930 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 -1.7748 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.5714 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 -1.3028 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -3.6320 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -2.7398 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -5.1892 2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -7.1319 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -7.1439 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -8.5172 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 -7.1395 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 -7.4613 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -7.0248 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 -0.8957 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8627 0.7707 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 -0.1357 -2.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 1.5886 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0834 0.1928 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 -0.8619 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4873 0.7556 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 1.1217 0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 2.8721 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 2.5470 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 3.2840 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 4.4862 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2178 4.1160 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 4.3045 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 1.7070 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3999 2.7690 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3371 1.3389 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7552 2.3440 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1526 -0.1196 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -0.2744 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 -0.3617 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9455 1.0102 2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6159 2.4537 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4898 1.0205 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 1.8718 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6948 0.5617 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0513 2.0117 0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2940 2.2177 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5234 4.1876 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 4.4434 1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5068 4.5210 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8294 5.5990 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9332 4.1136 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0252 2.8489 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6569 4.5159 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 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 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 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 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 6 28 90 1 0 28 91 1 0 32 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 38 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END