HMDB0263145 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/14:1(9Z)) 112112 0 0 0 0 0 0 0 0999 V2000 13.8278 4.5687 1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9936 3.4321 2.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7651 2.6049 2.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0107 1.3392 2.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5201 0.5143 1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6812 -0.5898 2.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0813 -1.5442 1.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 -0.4837 2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5592 0.2630 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 0.1309 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3478 -0.4607 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8785 -1.0669 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 -0.3907 -2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5115 -1.0241 -2.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 -2.4384 -3.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 -3.0708 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -2.5333 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -1.0807 -2.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 -0.5875 -3.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -0.0190 -3.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 0.2284 -2.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -0.5627 -2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -0.3938 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 0.4195 -1.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -1.0481 -0.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 -0.9404 0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 -1.4890 0.8125 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1735 -2.9798 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -3.4706 0.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 -5.0707 -0.2568 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6534 -5.2838 -1.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0547 -5.5610 -0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -6.0586 0.9366 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 -0.8685 -0.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -0.4157 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 -0.6005 1.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9618 0.2288 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4667 0.3801 -1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0271 -1.0016 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4695 -1.1850 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3340 -0.6543 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5162 0.7709 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5438 0.9848 1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8515 0.4200 1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9424 1.1553 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9838 2.6127 1.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9507 2.8626 2.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0635 4.3396 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5818 5.0395 1.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3006 5.5600 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9710 4.4271 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7914 4.5609 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 2.9445 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1649 3.9278 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1794 3.1473 3.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6157 0.8520 3.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3973 -0.0337 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9081 1.0045 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 -0.9106 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5420 -0.9910 2.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7377 1.3813 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9596 0.0440 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5822 0.5344 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -0.5163 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 -1.0859 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5994 -2.1537 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2856 0.7057 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 -0.4077 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0155 -2.9637 -2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 -2.8357 -4.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0181 -4.2271 -3.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 -3.2246 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -1.0408 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -0.4306 -2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1895 -0.7024 -4.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.3169 -4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 0.0031 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 1.3317 -2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1067 -0.2930 -3.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 -1.6422 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 0.1158 1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 -1.5824 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 -1.5171 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -3.0500 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 -3.5566 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 -4.9531 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -6.9775 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7724 -0.4225 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 1.1967 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6788 1.0694 -0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8867 0.8137 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4379 -1.6252 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7168 -1.5060 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6374 -2.3259 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8831 -0.9141 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3801 -1.0837 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1055 -1.1473 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0107 1.2781 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6715 1.3767 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1175 0.3346 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4953 1.9937 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9411 -0.6674 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8831 0.5976 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4034 3.1534 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0336 3.0889 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5987 2.2986 3.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9388 2.4934 2.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0537 4.7094 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7705 4.4788 3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0456 4.3224 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3874 5.7553 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7558 5.5490 1.0377 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 1 0 7 8 1 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 8 6 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 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 1 28 84 1 0 28 85 1 0 32 86 1 0 33 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 45103 1 0 46104 1 0 46105 1 0 47106 1 0 47107 1 0 48108 1 0 48109 1 0 49110 1 0 49111 1 0 49112 1 0 M END