HMDB0268007 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/i-18:0) 125124 0 0 0 0 0 0 0 0999 V2000 -15.3922 -3.3394 2.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9884 -2.7513 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0489 -1.5694 1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7160 -0.9185 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7169 -1.8653 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4073 -1.0889 0.4469 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9671 -0.6632 1.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 0.0466 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7847 1.0593 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1288 2.1304 -1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3259 3.1428 -1.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0294 3.2436 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9923 3.2745 -2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0235 2.4084 -2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8776 1.2851 -1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 0.4149 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -0.7735 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9528 -0.4944 0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -1.8960 -1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 -1.7510 -2.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 -1.5466 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 -0.3358 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -0.3664 0.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 0.8841 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 2.1078 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4298 2.7181 -0.3329 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0722 3.1652 -1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 2.1157 -2.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 2.5961 -4.0626 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9283 1.7152 -4.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 4.1996 -4.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 2.4773 -5.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 1.8833 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 2.1949 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 3.2971 2.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 1.2676 2.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.4250 1.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 -0.4924 1.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 0.2168 2.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 1.1484 1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 1.9421 1.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 1.3966 2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6852 0.5390 1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 -0.7592 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 -1.5468 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3498 -2.1218 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4088 -1.2629 1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6840 -2.0048 1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4295 -2.6137 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 -1.7248 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7842 -2.6486 -1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0489 -0.9032 -1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4835 -4.2151 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5932 -3.6466 3.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1430 -2.5518 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3060 -3.5274 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6286 -2.4484 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7692 -0.8162 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4212 -1.9150 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8900 -0.0764 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3215 -0.4773 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0878 -2.2183 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5667 -2.7040 1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6754 -1.7675 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3115 -1.3366 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5880 0.0622 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9053 0.9494 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1012 2.0860 -2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5819 3.9572 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8548 2.5559 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9661 4.3066 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0077 4.0919 -2.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 2.5282 -3.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5549 1.1465 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2531 0.5869 -2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 -1.1387 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 0.3811 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 -2.2208 -2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 -2.8147 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 -2.6838 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 -0.9122 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 -2.4441 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -1.6427 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2658 1.9758 0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 2.8213 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 3.6849 0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 3.8786 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 3.7331 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 4.3192 -4.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 1.5243 -5.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 1.7977 2.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4371 0.5517 2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -0.2405 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 1.0038 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2091 -1.2464 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 -1.0731 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -0.6169 2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 0.7872 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 1.9053 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 0.6820 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 2.7109 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 2.6768 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7176 0.9428 3.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 2.3005 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8973 1.1370 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6527 0.4809 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 -0.7061 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9022 -1.4442 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4511 -2.3975 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2893 -0.8804 -0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7703 -2.8400 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0749 -2.8967 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1076 -0.9550 2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5592 -0.3384 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3496 -1.2580 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4296 -2.7508 2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2937 -3.1871 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8114 -3.3781 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8332 -1.0485 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6693 -3.0557 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0659 -2.0634 -2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -3.4694 -1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0191 0.1504 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 -1.3346 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4021 -0.8354 -2.4221 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 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 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 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 1 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 1 27 87 1 0 27 88 1 0 31 89 1 0 32 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 M END