HMDB0263483 RDKit 3D PA(17:0/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 121120 0 0 0 0 0 0 0 0999 V2000 -14.0281 3.6633 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5773 2.2134 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7386 1.3738 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4170 -0.0217 -0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5605 -0.4305 -2.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1609 0.0120 -2.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3024 -0.3538 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8993 0.1598 -1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9444 -0.1325 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7784 -1.6124 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8165 -1.8842 1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4256 -1.3820 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7547 -1.9700 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3541 -1.4021 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 -1.6801 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 -1.0664 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -1.3264 1.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -1.9992 2.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0636 -0.8489 1.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 -1.1288 2.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 -0.4877 2.7752 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0419 1.0104 2.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 1.2967 1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 2.9528 1.1991 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0412 3.2603 -0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 3.8074 1.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 3.5463 1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -0.9616 1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 -1.5313 1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -1.6184 2.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 -2.0492 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -1.6498 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 -0.1381 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.3350 -2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 1.0245 -2.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 1.4126 -2.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 0.8326 -3.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -0.0161 -3.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3225 -0.5183 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 -1.9908 -2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 -2.7670 -1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6308 -2.4550 -1.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1484 -1.1256 -1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7342 -0.4028 -0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9545 -0.8981 0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 -0.1678 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 1.2398 2.0056 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6638 1.5160 3.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 2.3023 1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4551 3.6971 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2526 3.7520 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2333 4.3690 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9467 3.8450 -0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7535 2.2995 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1222 1.8530 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3996 1.8636 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4175 1.3729 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4074 -0.5964 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0740 -0.5057 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5230 -1.5781 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0869 -0.2815 -3.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9349 0.9915 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7114 -0.6807 -3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2127 -1.4678 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6906 0.0239 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4912 -0.2272 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9874 1.2844 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9695 0.3080 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3167 0.3752 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4951 -2.1819 -0.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7765 -1.9823 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2102 -1.3350 2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8542 -2.9592 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3992 -0.2909 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8346 -1.6944 1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3321 -1.6566 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 -3.0711 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -0.3500 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9071 -1.9698 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -2.7878 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -1.2742 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 -0.0081 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 -1.5830 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.7678 3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -2.2269 2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -0.6789 3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 1.4025 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 1.4713 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 4.6863 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 2.8261 2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 -1.7676 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 -3.1778 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -2.0264 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 -2.1450 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3817 0.2489 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 0.2205 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 0.0969 -2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 1.3533 -3.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 2.5592 -2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4033 1.3012 -1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7785 1.1541 -4.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5235 -0.3675 -4.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4075 -0.2140 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 -0.0096 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -2.4676 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 -3.8663 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8711 -2.9328 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2922 -3.1569 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0914 -0.5932 -2.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0883 0.5992 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6401 -1.9837 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0964 -0.8904 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 -0.3483 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4196 -0.8205 2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5416 1.4354 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1064 1.1511 3.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6365 2.3353 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0275 2.2367 0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 4.4243 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 3.6871 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 3.7567 1.6138 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 21 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 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 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 20 84 1 0 20 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 26 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 1 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 50121 1 0 M END