HMDB0287636 RDKit 3D PC(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/20:4(8Z,11Z,14Z,17Z)) 141140 0 0 0 0 0 0 0 0999 V2000 6.4699 -1.9442 -11.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -1.2468 -10.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 -2.2137 -9.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 -2.4321 -8.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -1.7210 -7.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 -0.9598 -6.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -1.1039 -5.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 -2.0533 -4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 -1.0890 -3.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -1.0543 -2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6152 -2.0617 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 -2.6744 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5476 -2.5961 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -1.9355 1.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -3.0260 2.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 -2.7558 3.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 -2.5175 2.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -2.3617 3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -1.1258 4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 0.0816 3.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 -0.0849 2.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 1.3681 4.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5256 2.4893 3.3819 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5263 3.5471 3.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 3.0719 2.2398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 2.4510 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 2.2492 0.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 2.0226 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 0.9729 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 1.2922 -1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 0.5230 -2.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -0.6967 -1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -1.9172 -2.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 -2.7896 -2.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -2.8518 -2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1202 -4.0817 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 -4.1478 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 -2.9348 0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -2.9899 1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2445 -1.7083 2.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -0.6654 2.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6158 -1.4457 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 -0.2360 2.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5886 0.7826 1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 0.8196 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6139 0.9382 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8084 1.9541 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 3.0940 -1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5117 3.0511 -3.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 3.1173 4.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 2.2432 4.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9259 2.9128 5.2865 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3105 1.9374 6.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 4.3161 6.0099 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2602 3.3877 4.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8211 4.5700 4.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0296 4.9673 4.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7751 5.1895 2.6436 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.8316 4.7160 1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7082 6.6477 2.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5196 4.6743 2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 -2.3638 -10.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 -2.7363 -11.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8025 -1.1659 -11.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9887 -0.5319 -9.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 -0.5883 -10.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7811 -10.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 -3.1442 -7.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -1.0311 -7.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 -2.5671 -6.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.2371 -6.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 -0.4916 -4.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -2.8126 -3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1791 -2.5297 -5.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -0.3301 -4.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 -0.2894 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -2.8702 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7966 -1.6641 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.1712 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 -3.0585 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.5289 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9156 -1.1651 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 -3.4140 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6664 -3.8811 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 -1.8268 3.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.6237 4.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 -3.3559 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -1.5439 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -3.2801 4.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 -2.3950 3.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 -0.9569 4.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 -1.1834 5.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 2.1310 2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 4.3510 2.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 3.9899 3.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 2.9356 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 1.7340 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 0.0361 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 0.8131 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6749 2.2027 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.7936 -2.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.7762 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -0.6602 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 -2.0975 -2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -3.6587 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -1.9438 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 -3.0429 -3.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 -5.0461 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -5.1055 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 -1.9429 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -3.9532 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4445 -1.9093 3.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -0.2152 3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2369 -2.3140 2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 -1.6077 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4572 -0.1698 3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0603 1.6461 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 -0.0767 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 1.6672 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3843 0.1386 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7910 1.9319 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 4.0611 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0718 3.2432 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0913 2.0316 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 3.7959 -3.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3948 3.2754 -3.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 3.3390 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 4.0955 3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 4.3169 5.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 5.3872 5.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5045 5.8738 4.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7785 4.1519 4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3185 5.5382 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6209 4.2776 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4402 3.9851 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 6.8124 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 7.1875 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 6.9595 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 5.0560 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 3.5640 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6416 5.0973 2.6821 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 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 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END