HMDB0263034 RDKit 3D PA(14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 114113 0 0 0 0 0 0 0 0999 V2000 10.5306 0.5660 2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1169 0.9137 2.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0335 2.3632 2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 2.9168 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 2.1037 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.4655 -1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 1.6321 -1.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3029 0.1915 -1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 -0.6431 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2349 -0.3278 -3.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9146 -0.6643 -3.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7002 -0.3200 -2.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5411 -0.4008 -3.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3574 -0.0609 -3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0688 0.4376 -2.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 -0.5206 -1.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 -1.2080 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 -1.1191 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 -0.6326 1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 -0.1723 2.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1111 -0.0007 2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 -0.8449 2.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 -0.5639 2.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.4563 2.7331 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -1.4332 1.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -1.1779 0.9556 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9940 -2.3293 1.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 -2.2789 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -2.4690 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -2.7675 -1.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2669 -2.3417 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0232 -1.7033 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6283 -0.3112 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7077 0.7262 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9234 1.1591 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0522 1.7408 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8464 0.9231 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6072 -0.1998 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3201 -0.9975 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3126 -0.4514 1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5688 0.0959 1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4888 1.2789 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9317 1.7622 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -0.9283 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 0.1588 -0.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.4768 -2.2793 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4041 -0.8210 -3.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 1.4689 -2.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 1.2811 -2.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1903 1.4390 2.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9369 -0.3230 2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5793 0.3251 3.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7637 0.2478 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 0.7241 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2656 3.0339 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 4.0075 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 2.4455 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2622 1.0485 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 3.5232 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9348 2.0399 -2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6553 -0.1065 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3790 0.0610 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4127 -1.7081 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 -0.8478 -4.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9143 -1.0050 -4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6623 0.0048 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 -0.7611 -4.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 -0.1444 -4.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9148 0.7041 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 1.3965 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 -0.6932 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 -1.9207 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 -2.2222 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -0.5851 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 -0.6622 2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 0.1386 3.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 1.0799 2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.1116 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.5483 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 -1.9271 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 -0.2166 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 -3.2836 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0201 -2.4455 2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6247 -3.4071 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3925 -1.8740 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -1.9237 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 -2.3148 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -0.0374 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 -0.3918 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8672 0.5004 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 1.6774 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 0.3845 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5989 1.9670 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7459 2.1901 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6832 2.6339 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6791 1.6099 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 0.5796 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8688 -0.8989 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1701 0.1974 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7622 -1.9498 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4922 -1.5042 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5108 -1.2754 2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8663 0.3525 2.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1258 -0.7570 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2178 0.3348 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9980 2.1459 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1027 0.9983 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8945 2.4459 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2680 2.3261 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5622 0.9035 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -0.4868 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 -1.7282 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.3883 -3.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 0.9012 -2.3975 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 1 0 9 11 1 0 11 12 2 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 2 0 29 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 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 26 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 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 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 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 1 27 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 48113 1 0 49114 1 0 M END