HMDB0288916 RDKit 3D PC(DiMe(11,3)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 142142 0 0 0 0 0 0 0 0999 V2000 2.9883 5.6987 4.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 7.1047 4.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 8.1101 4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7214 7.8909 2.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 7.3436 2.6519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 7.3081 1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 6.7472 0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 5.3647 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 4.7713 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 4.5654 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 4.0054 -1.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 2.6543 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 2.1952 -3.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 0.9247 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.5341 -4.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.0569 -3.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 0.7446 -2.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 1.7428 -2.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 0.2611 -0.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 0.7307 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 -0.3073 1.2678 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9454 0.1170 2.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -0.7232 3.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -0.2731 5.1601 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3449 1.2535 5.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 -0.6164 5.7258 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6406 -0.9129 6.1989 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 -1.6385 5.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 -2.1659 6.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -2.9293 6.0088 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7877 -2.1096 5.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 -3.8144 4.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 -3.7700 7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 -0.3241 0.8588 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -1.4910 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 -2.3776 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -1.6016 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -2.7838 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -4.1233 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -5.1362 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -5.9261 -2.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -5.8815 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -7.2104 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -7.9477 -1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -7.5718 -2.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2853 -7.5094 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -6.4308 -2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 -5.1064 -2.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7092 -4.0507 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5087 -3.0302 -1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3701 -2.8629 -2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 -1.5997 -3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3265 -0.3812 -2.8574 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6448 -0.3609 -2.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 0.8484 -3.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4269 2.1223 -2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 7.8976 0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 8.1006 -0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 8.2569 1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 8.9348 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 5.3158 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 5.7337 3.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 5.0606 3.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 7.2440 5.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 7.2069 3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 8.0207 4.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 9.1332 4.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 7.4644 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 6.8372 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 5.0768 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 4.7222 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 3.7145 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 5.2480 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 3.7133 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 5.3651 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 3.7981 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 4.6678 -2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 1.9303 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 3.0038 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 2.2953 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 3.0699 -4.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 0.7969 -5.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 0.0986 -3.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 1.3285 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -0.3337 -5.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -1.0089 -3.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -0.2222 -3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 0.6173 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 1.7387 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 -1.2714 1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7262 1.1894 2.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 0.0053 2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -0.9649 4.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -2.4464 5.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 -1.2728 7.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 -2.7089 7.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -1.9808 6.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -2.5950 4.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -1.0994 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -4.3293 5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 -3.3234 3.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -4.6229 4.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 -3.1615 7.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -4.4295 7.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -4.4386 6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -1.7344 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -0.6519 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 -2.8360 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -2.6965 -2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 -4.2216 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 -4.2993 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -5.1971 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -6.6538 -2.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -5.6646 -2.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 -5.1566 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -7.6290 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 -8.9315 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -8.4390 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5631 -6.7365 -3.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 -8.4568 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0373 -6.5101 -1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 -5.1599 -2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0611 -4.8814 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 -4.1882 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5559 -2.2522 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -3.6887 -3.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4187 -2.6748 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8691 -1.5867 -4.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 -1.5966 -4.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6386 -0.2730 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 0.5810 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 0.7903 -4.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 0.8876 -4.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7296 2.9249 -3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2709 1.8823 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4579 2.4750 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 9.1639 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2853 7.9456 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5158 7.4521 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 8.1620 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 9.6174 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 9.4878 0.3753 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 6 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 4 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 20 88 1 0 20 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 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 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 1 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 26 -1 30 1 M END