HMDB0260736 RDKit 3D PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 116115 0 0 0 0 0 0 0 0999 V2000 -14.4876 -0.7309 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0772 -0.1599 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8028 0.8253 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5246 2.0750 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4778 2.5287 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7977 2.3434 -1.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2242 3.9994 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9843 4.4791 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0338 3.7605 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8545 4.4104 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9045 3.7453 0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9524 2.2463 1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9194 1.8953 2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0334 1.1765 3.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8643 0.5388 2.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 0.5313 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4436 1.0995 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4859 1.8226 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 1.1603 1.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -0.3009 1.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -0.7582 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -0.7660 2.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -1.1803 0.3565 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -1.6041 0.2774 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7316 -0.4844 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 -0.4760 -0.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8484 -1.1502 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 -2.0164 -2.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 -0.8383 -1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 -1.8153 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 -1.8900 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1437 -0.8257 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2498 0.4355 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0497 1.5016 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4535 1.0684 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 0.7814 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2479 1.4021 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8724 2.4871 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2845 2.0326 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 3.1738 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8757 4.4068 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 -2.9425 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -3.6493 -0.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -5.1540 -1.0958 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2055 -4.9447 -2.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4856 -6.0829 -0.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 -5.9510 -0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -7.3162 -1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 -8.1299 -0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 -7.6961 -1.6392 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1280 0.0130 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4713 -1.6962 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9180 -0.8238 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3937 -1.0491 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9300 0.2060 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8406 0.4812 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3274 2.7638 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8392 1.9092 -1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3740 2.7811 -1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1190 4.5027 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2411 4.3435 -2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8053 5.5552 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2020 2.7243 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7459 5.5180 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0359 4.2994 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2769 1.7735 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9769 1.9276 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7448 2.2793 3.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1857 1.0150 4.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 0.6774 3.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -0.6031 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1769 -0.0555 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3184 1.0069 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7722 1.9823 2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4239 2.8741 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 1.2174 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 1.7199 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 -0.9060 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.4275 2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -1.5423 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4164 0.4816 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 -0.4591 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 -1.0421 -2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3789 0.2155 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -2.8479 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3097 -1.7849 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 -2.8369 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9043 -2.1890 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 -0.6546 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2200 -1.2184 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 0.2912 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3115 0.9216 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9914 2.4184 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 1.7113 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3649 0.1579 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8906 1.8478 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7939 -0.0204 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7095 1.0904 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3227 2.7997 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 3.4224 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1950 1.1025 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8730 1.9007 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1930 3.3172 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8960 2.8567 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8015 4.9772 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8361 4.2228 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 5.0785 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 -3.5308 0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -2.8214 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -6.0912 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 -7.4964 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 -7.7411 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -9.1899 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -8.0853 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -7.5335 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -6.8018 -2.0986 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 5 7 1 0 7 8 1 0 8 9 2 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 1 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 46110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 M END