HMDB0282274 RDKit 3D PS(20:4(5E,8Z,12Z,14Z)-OH(11R)/20:2(11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -1.1913 3.8887 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4505 4.5280 -3.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 5.4346 -3.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 4.5361 -2.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 5.2495 -1.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 4.1884 -1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 4.2061 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 5.2935 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 5.2221 2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3975 4.0746 2.7036 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6812 3.9841 2.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 3.9841 4.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3103 2.7261 4.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9004 1.7109 5.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 1.6037 5.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 0.5770 5.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -0.0814 4.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 -1.0956 3.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3313 -0.5713 2.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 0.6392 2.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 1.2999 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0179 1.0278 0.4202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 2.2407 1.9099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 3.0072 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 2.2077 0.2691 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9375 3.1609 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6928 3.7270 0.6239 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 4.8679 0.2659 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.7200 5.1010 1.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 6.3826 0.1286 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7962 4.7332 -1.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6766 3.7271 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7269 3.8471 -3.0297 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0716 3.8183 -2.5448 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5161 2.7475 -3.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4671 2.0104 -4.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2583 2.5398 -4.5385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.1867 1.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 -0.1093 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -0.2964 -0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -1.2526 1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -2.5641 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -2.7655 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4442 -4.0137 -1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 -3.8405 -1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -5.0448 -2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -4.6919 -2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -5.8964 -3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -5.5553 -3.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 -6.8166 -3.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -7.4240 -3.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 -7.0788 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 -5.8562 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -5.7241 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -6.8611 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 -6.6077 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -7.7081 1.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 -9.0517 1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -9.0509 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 4.5617 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 2.9105 -2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 3.6909 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 5.0882 -4.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0605 3.7100 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 6.1767 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 5.8921 -4.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 3.6715 -3.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 4.2033 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 5.5778 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.0803 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 3.3033 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 3.3500 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 6.1395 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 6.0067 2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 3.1429 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8317 4.8406 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 3.9444 4.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 4.8768 4.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 2.6804 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 0.7938 5.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1219 2.5556 6.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 1.2011 6.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 0.3773 5.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8048 0.1414 3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 -2.0699 3.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 -1.2266 4.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -1.3504 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -0.2799 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 0.3223 3.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 1.3849 3.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 3.6628 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 3.7153 1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 1.7795 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4028 3.9095 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5485 2.5120 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4622 6.5046 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7962 2.7124 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6963 3.7745 -2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5978 4.7924 -3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7398 4.4006 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 2.9249 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8844 1.6090 -4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0694 -1.1564 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6611 -1.2694 2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 -2.6732 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 -3.3684 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 -1.9194 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 -2.9603 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 -4.9236 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 -4.1022 -2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 -2.9206 -2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -3.6992 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 -5.2300 -3.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -5.8982 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -4.5488 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 -3.7894 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -6.7029 -2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -6.2600 -4.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -4.8294 -4.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -5.1241 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -7.2777 -4.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1223 -8.3921 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -7.9878 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -7.1408 -2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -4.8688 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -4.7249 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 -7.8575 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 -6.7155 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 -6.4296 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 -5.6656 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -7.4767 2.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -7.7016 2.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -9.3964 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -9.8059 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -8.6746 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 -8.3609 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -10.0842 -0.2052 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 6 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 33 99 1 6 34100 1 0 34101 1 0 37102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END