HMDB0263289 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/16:0) 118117 0 0 0 0 0 0 0 0999 V2000 -15.1563 0.5212 -2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6859 0.4469 -2.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9464 1.6001 -1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1399 1.6254 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3797 2.8091 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6211 2.7701 1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7036 2.6448 2.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2574 2.5202 2.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7503 1.2482 2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2040 0.3131 2.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0407 0.4489 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5545 0.3617 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3938 0.4890 -1.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7996 1.3930 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5456 1.3091 1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 0.1290 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 0.0884 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -1.1193 1.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4699 -2.1505 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 -3.3904 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -3.1968 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -4.2669 -0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 -2.0221 -0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 -1.8544 -1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 -2.4140 -1.1611 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7106 -1.7626 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -1.9111 1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 -1.1449 2.4746 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0010 -0.2773 2.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -2.2796 3.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 -0.1250 2.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -2.2691 -2.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 -3.3722 -2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -4.5057 -2.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 -3.2504 -3.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 -1.8605 -3.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 -1.3404 -2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 -2.2016 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 -1.6932 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5287 -0.3054 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 -0.1520 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 -1.0182 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4224 -0.7505 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9002 0.6748 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9981 1.0127 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 2.4186 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9803 2.6165 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4329 4.0663 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5166 4.3641 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5989 1.4989 -2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3872 0.2803 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6651 -0.2381 -2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2968 -0.5084 -1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5541 0.4905 -3.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8655 1.4718 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3024 2.5432 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1956 1.7440 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7339 0.7187 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3449 2.7606 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8519 3.7644 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6763 2.8557 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0192 2.6300 3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9651 2.7919 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7709 3.3184 3.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8453 1.0929 4.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8512 -0.6210 2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4798 -0.5011 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5453 1.2568 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1651 -0.6370 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2849 0.5134 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3325 2.3089 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 2.1611 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2076 -0.6878 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 0.9027 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.5339 2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 -0.7974 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 -2.4381 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 -1.7023 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 -4.1386 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 -3.8551 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -2.4246 -2.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 -0.7704 -1.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -3.4984 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.6742 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -2.2590 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -3.2098 3.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 0.6675 2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 -3.9369 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -3.5593 -4.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -1.1908 -3.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 -1.7487 -4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 -0.3048 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 -1.3018 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0589 -3.2164 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 -2.3092 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1543 -1.7273 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -2.3795 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 0.4254 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 0.0078 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3449 -0.4954 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 0.9082 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5061 -2.0681 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6370 -0.8865 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 -1.0675 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3381 -1.4012 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2691 0.7571 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 1.4084 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6137 0.8503 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8398 0.3176 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6215 3.1477 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2314 2.6317 -0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7837 1.8993 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1535 2.5166 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8915 4.2075 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5539 4.6948 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2799 5.0309 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 4.8531 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9465 3.4234 -0.1016 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 1 26 84 1 0 26 85 1 0 30 86 1 0 31 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END