HMDB0267278 RDKit 3D PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/a-25:0) 143142 0 0 0 0 0 0 0 0999 V2000 17.0357 0.1572 3.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5411 1.6196 4.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2247 1.5191 4.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0978 1.9515 4.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7842 2.6710 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8115 3.0739 2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9332 2.6201 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 1.6339 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4096 2.2133 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5956 1.6671 -2.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3795 0.5139 -2.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8756 -0.7143 -3.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6594 -1.0708 -3.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5227 -0.2165 -3.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3344 -0.7256 -3.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1217 0.0875 -3.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9029 0.5817 -2.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 -0.8047 -3.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8562 -2.0211 -2.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4769 -1.7215 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 -1.1412 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 -0.6888 -0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -1.1192 -2.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 -0.7087 -2.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0971 -1.5645 -2.1387 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5492 -3.0220 -2.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 -3.7196 -1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -5.3427 -1.1398 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0482 -6.0401 -2.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 -5.4590 -0.7738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -6.1035 0.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7856 -1.4106 -2.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.0100 -1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -0.7178 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 -0.9685 -2.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -0.6844 -1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 0.6619 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8021 1.0675 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2058 1.1717 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -0.0150 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9831 -1.1707 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 -1.1666 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1312 -1.1223 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9425 -0.0263 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4387 -0.3797 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7178 -0.5212 2.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5294 0.6719 3.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4190 1.8479 3.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7707 1.6882 3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8711 0.8593 3.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6058 0.9853 2.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8502 0.7359 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4546 0.7867 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4867 -0.1448 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8100 -0.1410 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5904 -1.3352 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7146 1.0177 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2511 2.3758 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2559 -0.4628 3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9757 0.1979 3.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2530 -0.2234 4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2330 2.0879 4.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6586 2.1408 3.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2157 0.9781 5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2174 1.7213 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2496 3.6822 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8814 2.1930 2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5424 3.8776 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7554 2.9926 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6450 0.7412 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2359 1.3506 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7726 3.1179 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0893 2.2520 -2.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1060 0.8970 -3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1075 0.2563 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6387 -1.5444 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 -2.0947 -3.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 0.7510 -2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2512 -1.7225 -3.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1323 0.9695 -3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 1.5385 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1791 -1.1046 -4.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -0.1450 -3.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 -2.6897 -2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -2.6292 -3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4031 -2.7438 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1831 -1.1340 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 0.3671 -2.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -0.6977 -3.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1928 -1.2548 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -3.0434 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 -3.5058 -3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 -4.9685 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -5.5016 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 -0.1556 -3.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 -1.9641 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -1.4388 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -1.0337 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 1.4537 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.7912 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 0.4168 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5327 2.1020 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 1.7500 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 1.9165 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 0.3992 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 -0.2790 -1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3405 -2.0676 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8946 -1.4893 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -2.1110 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2617 -0.3647 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2992 -1.1952 2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5026 -2.1449 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7062 0.9284 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9316 0.1454 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0573 0.2921 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5152 -1.4124 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0735 -1.3387 3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7534 -0.9913 2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4697 1.0358 3.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4983 0.3191 4.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4136 2.3139 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9546 2.7012 3.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6041 1.5065 5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2017 2.7877 3.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6766 1.0187 4.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7162 -0.2572 3.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5554 0.4190 2.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9900 2.0810 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2614 -0.2570 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0032 1.4999 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5599 0.6398 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7224 1.8714 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0723 -1.2301 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6867 -0.0066 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8935 -0.4518 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4090 -1.1593 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6150 -1.2861 -0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0534 -2.2296 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0324 0.9324 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6653 0.8303 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7937 2.9177 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1826 3.0029 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6427 2.4877 0.6716 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 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 30 93 1 0 31 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 58143 1 0 M END