HMDB0267430 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-13:0) 109108 0 0 0 0 0 0 0 0999 V2000 13.2093 -0.7239 -1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 0.1971 -2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1196 1.4165 -1.8593 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3654 0.9777 -1.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 2.1429 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0468 2.6207 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4471 3.3105 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3418 2.9603 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 1.7514 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2309 2.2501 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0937 1.8576 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 0.7926 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6382 1.2711 2.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7116 0.7442 3.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -0.4570 3.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -1.3554 2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 -1.6421 1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.1097 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -0.3365 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 0.1204 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2811 -1.0320 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -2.1847 -0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -0.9754 0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -2.1969 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2342 -2.1810 0.2257 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7204 -3.6315 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 -3.8313 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 -5.3476 -1.9559 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7293 -6.2219 -2.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 -6.1401 -0.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 -5.3017 -3.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0282 -1.3868 -0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -0.5242 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1027 -0.5334 1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 0.3077 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9301 0.9901 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8859 0.0387 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5572 -0.8470 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5039 -1.8413 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7312 -1.4917 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8035 -0.7228 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6161 0.7064 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4393 1.5693 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2154 3.0082 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3572 3.6406 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9393 3.2341 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3971 -1.7567 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2058 -0.6267 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9834 -0.4624 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9828 -0.3449 -3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3783 0.4018 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3320 2.0674 -2.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6792 1.5791 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0382 3.0477 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 1.5036 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2732 3.3860 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4907 1.8505 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 4.2141 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9847 3.5445 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0143 1.2597 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 1.0274 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2357 3.0338 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 2.2836 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 -0.0356 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1475 0.3352 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0853 2.2254 3.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4608 1.3082 4.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8571 -0.1736 3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 -1.1004 4.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -1.9162 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 -2.3580 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -1.9774 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -0.4220 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -1.0445 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 0.5348 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 0.7035 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 0.8161 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -2.8385 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 -2.7665 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 -2.0284 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -4.3234 0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7964 -3.6165 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 -7.0749 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4379 -5.6688 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 -0.3097 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2472 1.1142 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 1.5794 -0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 1.7440 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3761 -0.6529 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6344 0.6694 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8931 -0.2175 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 -1.4875 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7476 -2.6092 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8676 -2.5306 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2192 -2.4563 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4008 -1.0219 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0505 -1.2573 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7779 -0.7915 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5560 1.0097 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8177 0.8858 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4273 1.5423 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7231 1.1417 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 3.6137 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3110 4.7336 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2647 3.5046 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3418 3.3063 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8897 2.7013 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8022 4.3319 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0346 2.9772 0.4943 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 1 0 16 17 2 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 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 44103 1 0 45104 1 0 45105 1 0 45106 1 0 46107 1 0 46108 1 0 46109 1 0 M END