HMDB0275144 RDKit 3D PGP(20:4(6E,8Z,11Z,14Z)+=O(5)/i-15:0) 129128 0 0 0 0 0 0 0 0999 V2000 1.5917 -2.4848 5.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 -2.2435 6.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -2.0354 6.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 -0.8903 5.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 0.4300 6.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 1.5395 5.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 2.4423 4.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 2.4413 4.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 2.6889 3.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 1.9978 3.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 0.5809 3.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 -0.1706 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 -1.1569 1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -1.7899 2.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 -2.8134 1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 -3.5732 2.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8331 -3.3545 3.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -4.7453 1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -5.2081 1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -4.2079 1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -3.7827 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -4.1192 -0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 -2.9901 -0.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3913 -2.6414 -1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2585 -1.6611 -1.6786 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6619 -0.3506 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 0.5954 -1.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1215 2.0639 -0.3561 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9099 2.8299 0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 3.0082 -1.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 1.8580 0.9281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9005 2.8073 1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 2.5899 3.1005 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5576 1.2652 3.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 3.5700 4.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 3.3378 5.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 4.3980 6.5527 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5385 5.2236 7.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 5.3490 6.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 3.4402 7.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -1.3897 -3.0572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 -1.6064 -3.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -2.0429 -2.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 -1.3800 -4.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -2.6686 -5.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3705 -3.6854 -5.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 -3.3694 -5.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 -3.0021 -6.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2547 -2.7284 -5.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -1.6150 -5.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 -0.2968 -5.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 0.1242 -6.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 1.4162 -7.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 2.5125 -6.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 3.7770 -6.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 3.4602 -7.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 4.0637 -8.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -1.5098 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 -3.0572 5.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -3.0388 6.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 -1.4267 7.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 -3.1513 7.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 -1.8392 7.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 -2.9458 6.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 -0.8685 5.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 -0.9953 4.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4498 0.5364 7.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 0.4713 6.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 1.6088 5.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 3.2321 4.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 1.4868 5.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 3.2425 5.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 3.7434 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 2.4180 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 0.1736 3.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 0.5320 3.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 0.2258 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -1.5681 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 -1.4295 3.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -3.1470 0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 -5.5498 1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 -4.5719 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 -5.5757 3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -6.0997 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1495 -4.6120 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 -3.3594 2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 -2.1456 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -3.5359 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -2.0120 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 -0.0269 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 -0.6493 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 3.0218 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 3.8478 1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8721 2.6760 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8596 2.6867 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6195 0.7282 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 3.5510 4.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6585 4.6000 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 6.2215 6.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 4.0183 8.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -0.6855 -5.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 -0.8461 -5.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -3.1056 -5.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 -2.3781 -6.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 -4.1140 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4324 -4.5751 -5.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2742 -2.5711 -4.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5776 -4.2848 -4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 -3.8175 -7.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.1182 -6.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -2.6048 -6.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -3.6656 -5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -1.4621 -4.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -1.8023 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 0.4349 -4.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7894 -0.3745 -5.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 0.3070 -6.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 -0.6773 -7.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 1.6633 -8.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 1.2574 -7.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 2.6840 -6.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 2.2392 -5.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 4.5798 -6.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 3.0307 -8.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 2.7329 -6.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 4.3819 -6.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 3.6656 -8.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 5.1719 -8.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 3.6039 -8.2467 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 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 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 33 95 1 6 34 96 1 0 35 97 1 0 35 98 1 0 39 99 1 0 40100 1 0 44101 1 0 44102 1 0 45103 1 0 45104 1 0 46105 1 0 46106 1 0 47107 1 0 47108 1 0 48109 1 0 48110 1 0 49111 1 0 49112 1 0 50113 1 0 50114 1 0 51115 1 0 51116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 55123 1 0 56124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 57129 1 0 M END