HMDB0116008 RDKit 3D CDP-DG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 153154 0 0 0 0 0 0 0 0999 V2000 1.2557 -3.8436 -2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 -4.4875 -3.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.4523 -3.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6388 -3.0586 -3.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -3.5981 -2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3919 -2.5428 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8133 -2.5451 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -3.6283 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -4.2561 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6057 -4.2739 2.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -3.7229 2.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 -4.8304 3.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5462 -4.8228 4.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4486 -3.8107 5.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -3.3347 5.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7136 -2.6344 4.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 -1.2775 4.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -0.9883 3.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 0.4899 3.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2624 0.8501 2.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 1.6977 3.2953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 0.3233 1.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 0.4728 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 1.7042 0.0322 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3188 2.9540 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 2.9011 1.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3422 4.3884 2.6124 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5456 4.3057 3.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 4.6102 3.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 5.6720 1.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 6.5886 1.3567 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9387 5.8870 1.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 8.1008 2.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 6.8984 -0.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 7.8469 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 8.0383 -2.0288 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5831 6.8916 -2.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 6.9053 -3.1153 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5562 5.9607 -2.4149 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 6.0629 -2.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 5.1530 -1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 4.1067 -1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7542 3.1192 -0.3349 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 4.0443 -1.1527 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 4.9147 -1.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 4.8309 -1.8752 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 8.3140 -3.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 8.7491 -4.3872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 9.0723 -2.4244 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4507 9.8309 -1.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 1.8007 -1.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.4455 -2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 1.0625 -2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 1.5194 -3.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 0.7829 -4.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 0.7142 -5.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 0.0764 -5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -0.0151 -6.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.6211 -6.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -1.9211 -5.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -2.1790 -4.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 -1.1216 -3.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 -1.5700 -3.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1324 -1.6993 -2.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3641 -1.3796 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1744 -0.3188 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 -0.5047 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4683 -1.7358 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8252 -2.2845 1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2636 -2.4311 2.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5007 -2.0866 4.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3309 -3.3892 4.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -2.7446 -2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9222 -4.2018 -1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -4.1754 -3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 -4.9715 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -5.3248 -3.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -3.0034 -4.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -2.2833 -3.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -4.5425 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2791 -3.8774 -2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0756 -1.7058 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 -1.7058 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -3.1167 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -4.3807 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4052 -4.6957 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -4.7561 3.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 -3.0200 3.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 -3.1609 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -5.6325 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -5.6992 4.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -4.4273 6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -3.0560 5.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -2.7959 6.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -4.2814 5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8134 -2.6471 4.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -3.3282 3.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 -0.4866 4.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 -0.9674 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -1.1090 4.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -1.5692 2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 0.6574 2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 1.1299 4.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 -0.4434 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 0.3208 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 1.4565 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.8434 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 3.2636 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 4.9742 4.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 8.5463 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 8.8315 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 7.5359 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 8.3425 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 6.5373 -4.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 6.8895 -2.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 5.2562 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 3.3759 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5433 2.0850 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 8.4655 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 8.0901 -5.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 9.7267 -3.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 10.4188 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 0.9253 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 2.5303 -3.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 -0.2854 -4.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 1.2102 -4.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 -0.0082 -6.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 1.6622 -6.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 0.6570 -4.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -0.9453 -5.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.6016 -7.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 0.9944 -7.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 0.1633 -6.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5421 -0.8379 -7.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -2.7093 -6.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 -3.1534 -4.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 -1.0856 -3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -0.1424 -4.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -1.8155 -4.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 -2.0521 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 -0.8861 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2553 -2.3092 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3416 0.5984 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 0.3091 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -1.5572 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9441 -2.5573 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4398 -2.5591 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2673 -2.8349 3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5218 -1.6569 3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1835 -1.4722 4.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4256 -3.9276 4.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -3.1620 5.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1779 -4.0697 4.6703 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 2 0 10 11 1 0 11 12 1 0 12 13 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 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 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 49 36 1 0 45 39 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 23104 1 0 23105 1 0 24106 1 6 25107 1 0 25108 1 0 29109 1 0 33110 1 0 35111 1 0 35112 1 0 36113 1 6 38114 1 6 40115 1 0 41116 1 0 43117 1 0 43118 1 0 47119 1 0 48120 1 0 49121 1 6 50122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 64140 1 0 65141 1 0 65142 1 0 66143 1 0 67144 1 0 68145 1 0 68146 1 0 69147 1 0 70148 1 0 71149 1 0 71150 1 0 72151 1 0 72152 1 0 72153 1 0 M END