HMDB0268354 RDKit 3D PA(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) 136135 0 0 0 0 0 0 0 0999 V2000 -16.6993 -0.0168 -1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1463 1.2328 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3579 1.9710 -1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4194 0.7358 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7892 1.7403 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6933 2.5737 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4563 1.8009 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4469 2.7509 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 2.1202 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2977 1.0770 -1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9837 0.4547 -1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2664 -0.2150 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1029 -1.2880 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5126 -1.9821 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3044 -2.7784 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0293 -2.2040 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4751 -1.0846 1.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -0.6208 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1493 -1.7153 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 -2.2775 2.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 -3.3631 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -2.9261 1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -2.8061 2.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 -2.6421 0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 -2.2592 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -1.0221 -0.0412 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5510 0.1745 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 0.5292 -1.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 1.8771 -1.1699 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7210 1.9573 -2.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 3.3063 -1.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8698 1.7237 0.1666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 -0.7394 -0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 -0.7109 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 -0.9420 0.9162 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -0.4302 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 -0.5189 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7341 -1.8821 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6509 -2.9172 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5713 -3.7268 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 -3.7403 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9217 -3.4936 -1.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7589 -2.4928 -1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8588 -1.4586 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -0.1031 -1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 0.8237 -1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 0.6363 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 1.6391 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 2.5331 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0177 2.6533 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 2.4405 -0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7143 3.4886 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1052 3.3378 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3212 2.0152 1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3952 1.8870 2.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9048 -0.7884 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8939 -0.3783 -1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5591 0.2522 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0806 1.7978 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2936 1.7834 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7247 1.7328 -2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5963 3.0718 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7288 -0.0670 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1812 0.1832 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6126 2.4610 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4563 1.3219 2.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9678 3.3118 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3389 3.2226 2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7492 0.9694 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9770 1.3314 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2006 3.4729 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8082 3.3788 -0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5253 2.9376 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5654 1.7809 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7184 1.5111 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9742 0.2478 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3491 1.1882 -2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2058 -0.3499 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3034 -0.5285 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0379 0.5288 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0981 -0.8599 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4557 -2.0103 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 -1.1805 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3333 -2.5874 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -3.6395 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1196 -3.3113 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 -3.0654 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8591 -2.0871 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -1.5052 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1609 -0.2146 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 -0.2714 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 0.2173 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4785 -2.5378 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -1.2847 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -1.4780 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 -2.6419 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -3.7931 3.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -4.1818 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -3.1296 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 -2.1869 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.1985 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 1.0192 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -0.0466 0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 3.0449 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 2.1576 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 0.6272 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 -1.0416 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 -0.2514 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 0.2695 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -2.0569 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -1.8177 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6543 -3.0215 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3302 -4.4644 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0651 -3.1487 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1260 -4.8234 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9529 -4.1932 -2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4505 -2.3875 -2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7770 -1.5716 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0298 -1.5976 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6164 0.1055 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2501 1.7864 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5961 0.8456 -1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0627 -0.3784 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3668 1.6372 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 3.2283 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8653 2.1128 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0087 3.7574 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5309 1.4054 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1243 2.5263 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0073 3.4751 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6933 4.4882 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8257 3.4585 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2740 4.1469 1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3271 1.9929 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 1.1951 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3432 0.9724 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 32105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 M END