HMDB0265416 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/20:5(5Z,8Z,11Z,14Z,17Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -13.3564 -1.0665 -3.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4551 -0.0372 -3.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6833 -0.7862 -2.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3828 -0.6906 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1255 0.2048 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0389 -0.5619 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1042 -0.5782 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8417 0.1208 1.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3628 1.0171 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1943 0.8354 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2753 -0.2671 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8835 -1.1212 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6454 -1.1823 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4234 -0.5228 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3819 0.4701 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7022 0.3135 1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9089 -0.8534 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4741 -0.3314 1.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 0.2518 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.8195 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 2.0824 0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 0.0559 0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 0.6745 0.8738 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4593 0.5154 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 1.0675 -0.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 0.6060 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 -0.4909 0.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 1.3829 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 2.0730 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 2.9276 2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.1920 2.0576 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6745 1.1525 2.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 1.9195 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 1.1621 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5746 0.9497 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6119 0.2355 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -0.4271 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4972 -1.8968 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6139 -2.5044 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9038 -1.8518 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0134 -2.5366 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3247 -1.8136 -1.1305 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2620 -2.8434 -1.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3503 -0.8286 -2.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6215 -0.0617 -2.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8335 -0.8895 -2.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0824 -0.0161 -2.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2641 -0.9554 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 0.3037 2.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 0.7009 3.1679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 0.3182 4.6797 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9794 0.5855 5.7364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4871 -1.3220 4.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 1.3065 5.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3561 -0.6636 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4703 -1.4068 -4.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5226 -1.9215 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0687 0.5991 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6802 0.5656 -4.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0231 -1.5024 -3.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2878 -1.3418 -1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3061 0.8436 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1015 0.8148 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9519 -1.2455 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2952 -1.2964 2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0526 -0.5848 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9525 0.7908 2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9571 1.9352 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9441 1.5965 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8850 -1.0474 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 0.0564 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6753 -1.7518 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5477 -1.9097 -2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6464 -1.3362 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9453 0.0192 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9157 1.4676 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7382 1.1541 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 -1.6644 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2327 -1.3134 2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8086 -1.1367 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 0.5196 2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7507 1.0310 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0129 -0.5282 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 1.8043 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 1.0630 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 -0.5797 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 0.6496 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 2.1451 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2071 2.7020 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 1.2910 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 3.7320 1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 3.5414 2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 2.9589 2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 0.9631 3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5698 2.3399 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.7928 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 1.4058 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 0.1403 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4521 0.0338 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 -0.3013 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5319 -2.4366 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5902 -3.5893 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0377 -0.7938 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8972 -3.5967 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6092 -1.3626 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4470 -3.3631 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5301 -0.0816 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1820 -1.3533 -3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7883 0.4406 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4919 0.7427 -3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 -1.5314 -3.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0320 -1.5693 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9695 0.6867 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3183 0.5206 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0062 -1.9399 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3476 -1.0550 -4.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2127 -0.5486 -2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -0.7641 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 0.9318 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -1.4349 5.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 0.8126 5.5036 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 1 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 1 32 94 1 0 33 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 42105 1 1 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 48117 1 0 49118 1 0 49119 1 0 53120 1 0 54121 1 0 M END