HMDB0263064 RDKit 3D PA(14:1(9Z)/20:4(6E,8Z,11Z,14Z)-OH(5S)) 110109 0 0 0 0 0 0 0 0999 V2000 13.0654 -2.3393 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7002 -1.8978 -1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 -0.4793 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0225 -0.0658 -1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 -0.1878 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 0.8139 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6225 2.2003 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 2.6949 1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0906 1.9531 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7461 2.0042 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 1.3750 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2734 -0.0685 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1777 -0.7286 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -0.1124 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -0.4895 2.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 0.8271 0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 1.5082 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.7909 1.7827 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0418 -0.0970 2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -0.4900 3.4248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -1.5004 4.7939 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5462 -0.6404 5.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -2.7436 4.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -2.1892 5.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 0.1165 0.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 0.4896 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 1.5120 0.5494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 -0.3569 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -0.2273 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -0.5374 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 0.2795 0.1961 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2332 1.6368 -0.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -0.0599 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5906 -0.2140 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8913 -0.5372 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9202 -0.6889 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8638 -0.5513 -1.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3333 -1.8404 -2.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3046 -1.9764 -3.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1034 -0.9050 -3.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5149 -1.0481 -3.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2741 -0.1505 -2.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9004 1.1982 -2.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1823 1.4646 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3946 0.5681 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7776 0.9251 1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2522 0.6939 1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 -3.0413 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3676 -1.5168 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0040 -2.9935 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8074 -2.5327 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5151 -2.1580 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1861 -0.2852 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 0.1544 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2086 -0.7584 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6850 0.9359 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 -1.2093 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8329 0.6014 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 2.4199 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 2.8103 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4364 2.5801 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2221 3.8005 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2137 0.9093 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 2.3936 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 1.5878 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7194 3.0957 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 1.9838 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5143 1.5922 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0613 -0.5937 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2982 -0.3420 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0702 -0.8531 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 -1.8121 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 1.9757 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 2.4480 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 1.6406 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -1.0913 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 0.3100 3.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -3.5089 4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 -1.6273 4.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -1.4402 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.3841 -1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 0.8622 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 -0.7735 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.4856 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 -1.6280 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 0.2121 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 1.6988 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -0.1826 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4516 -0.0888 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9935 -0.6496 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8737 -0.9439 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8929 -0.3034 -2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5236 0.3183 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8022 -2.7338 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6171 -3.0090 -3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7613 0.1088 -3.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0132 -1.0069 -4.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9778 -2.0327 -3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3487 -0.4082 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8412 1.4881 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5127 1.9466 -3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2708 1.4614 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8192 2.5152 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3034 0.8111 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6267 -0.4899 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4519 1.9595 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1874 0.2378 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5277 0.4466 2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5808 -0.1610 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8174 1.6234 1.1575 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 2 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 2 0 14 16 1 0 16 17 1 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 21 24 1 0 18 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 17 73 1 0 17 74 1 0 18 75 1 1 19 76 1 0 19 77 1 0 23 78 1 0 24 79 1 0 28 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 1 32 87 1 0 33 88 1 0 34 89 1 0 35 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 47110 1 0 M END