HMDB0116007 RDKit 3D CDP-DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 153154 0 0 0 0 0 0 0 0999 V2000 2.4369 4.6072 -1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 3.1460 -0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 2.6537 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 1.6344 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 0.8603 -2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 -0.5391 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 -1.1207 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 -0.4505 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -0.4836 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -0.9982 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 -1.6274 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -2.9890 1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4073 -4.0123 1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 -3.9768 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 -4.8725 -1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -4.4128 -1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -5.3403 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -4.8802 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 -4.8301 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -4.3669 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 -4.1589 -1.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 -4.1550 0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 -3.7109 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -3.4757 1.6222 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0779 -2.9547 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 -1.7745 0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -1.2352 0.1762 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5084 -1.5885 1.3128 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1523 -1.9837 -1.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 0.4474 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3143 0.8804 -1.4698 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.8172 0.8011 -1.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9054 2.4745 -1.8288 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7712 -0.1122 -2.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 0.6616 -3.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -0.2283 -4.8954 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2797 0.4712 -5.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 0.1941 -6.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1372 1.3810 -6.0611 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 2.5256 -5.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 3.6641 -5.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 3.6086 -5.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 4.7940 -5.7715 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 2.4511 -6.2547 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 1.3250 -6.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 0.2397 -6.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 -0.8982 -5.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 -0.5168 -4.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 -1.1196 -4.3448 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3954 -0.7776 -3.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -2.4726 2.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -2.6418 3.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -3.7411 4.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -1.5905 4.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 -0.4234 3.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.6830 4.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 0.1623 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 0.6097 4.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 1.7006 3.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 2.7222 4.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 3.9582 4.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 4.6650 4.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 5.3808 5.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 5.3324 5.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 4.4050 5.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 3.4900 6.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 3.3796 6.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4038 4.1270 6.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 3.2074 5.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0192 2.3235 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 1.3857 5.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 0.4765 4.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 4.7100 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 5.2457 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 4.9916 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 3.1663 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 2.6495 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 3.2037 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 1.3253 -2.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 0.7957 -3.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 1.3095 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -1.0944 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 -2.1575 -0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9359 -1.0483 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2081 0.5412 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -0.0544 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4081 -0.9753 2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4046 -1.4357 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -1.0258 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 -3.1745 2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 -5.0463 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7790 -4.4738 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9058 -3.0125 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 -4.8936 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 -5.9258 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 -4.4107 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 -3.4116 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -6.3643 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -5.3758 -2.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -5.6842 -2.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -3.9549 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 -4.1757 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -5.8715 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4387 -4.5488 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -2.8301 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -4.4095 2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -2.8931 2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5355 -3.7268 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1448 -1.9665 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 2.7263 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 1.2360 -3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0611 1.3550 -4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6535 -0.8185 -5.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8463 -0.1718 -7.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 2.5802 -5.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 4.5815 -5.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5599 5.2339 -6.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 5.2622 -4.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -1.8439 -5.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -1.3372 -4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 -2.1482 -4.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -1.4749 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6105 -1.1769 5.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -2.0064 4.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 -0.0552 2.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 -0.8488 2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 0.8734 5.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 1.6013 3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -0.6745 5.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 0.1219 5.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 1.2430 3.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 2.0654 3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 2.3612 5.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 4.6248 5.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 5.5000 3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 4.1166 3.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 6.0908 5.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 5.9147 6.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 3.8049 4.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 5.0781 4.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 2.8563 6.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 2.6867 7.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 4.8529 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 4.6494 6.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 3.8479 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 2.5842 4.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 1.7076 6.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 2.9569 7.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4102 0.7446 6.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9726 1.9480 5.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 -0.0760 5.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 0.9642 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3893 -0.2743 4.7010 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 2 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 1 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 1 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 1 50122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 61134 1 0 62135 1 0 62136 1 0 63137 1 0 64138 1 0 65139 1 0 65140 1 0 66141 1 0 67142 1 0 68143 1 0 68144 1 0 69145 1 0 69146 1 0 70147 1 0 70148 1 0 71149 1 0 71150 1 0 72151 1 0 72152 1 0 72153 1 0 M END