HMDB0284658 RDKit 3D PE(DiMe(11,3)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 133133 0 0 0 0 0 0 0 0999 V2000 -2.1532 7.2836 -6.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0182 7.7902 -5.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4467 7.3834 -3.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 5.8835 -3.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 5.1175 -4.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 3.8743 -3.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 2.6935 -4.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 1.9792 -5.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 0.7760 -5.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 -0.2108 -4.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 -1.4833 -4.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 -2.4031 -3.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -1.7743 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -1.5751 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 -0.8725 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 -0.7202 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 -1.9630 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -1.9143 0.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 -3.2298 0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -4.3679 0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -5.5991 0.3204 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6294 -6.0086 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -5.1217 -1.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -5.6262 -3.5234 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6800 -6.9540 -3.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -5.8628 -4.0271 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -4.3957 -4.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -4.0375 -3.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4685 -2.9395 -4.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -1.7751 -4.8029 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 -5.4506 0.9091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -6.0886 1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 -6.9766 2.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 -5.7410 2.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 -5.0936 3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -3.8733 3.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -3.2453 5.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 -1.9961 5.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -1.0347 4.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 0.0554 4.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 1.2900 4.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0888 1.6594 4.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 2.6129 3.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 3.8356 3.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 4.4338 4.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 4.8703 5.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3121 4.4674 5.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 3.4422 6.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 2.3206 6.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 1.8145 5.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 0.7444 4.6770 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7609 -0.4986 5.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2861 0.3281 3.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0466 3.7524 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 2.4949 -3.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 5.0552 -3.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 5.4668 -3.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 7.3226 -6.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 6.2129 -6.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 7.8960 -7.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 8.8972 -5.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0416 7.3507 -5.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 7.7365 -3.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 7.6822 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 2.9823 -3.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0763 1.9928 -3.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5582 2.6364 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 1.6588 -5.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 1.0885 -5.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0626 0.3288 -6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.5006 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 0.2610 -3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 -1.2557 -4.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2383 -1.9935 -5.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -2.5612 -3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 -3.3650 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -2.5392 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 -0.8776 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -0.9040 -2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 -2.5135 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 0.1796 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -1.3111 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 -0.0045 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -0.2184 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -4.2813 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 -4.4095 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 -6.4377 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -6.2289 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 -7.0037 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -6.4236 -4.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 -4.9201 -3.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -3.6679 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 -2.6180 -4.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6211 -3.2483 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 -1.1016 -5.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -1.2617 -3.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 -6.6917 2.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -5.1260 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 -4.7325 4.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -5.7989 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1623 -3.3022 2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -4.3677 3.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 -3.8528 5.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 -1.6023 6.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 -0.8248 4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -1.4995 3.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 -0.2391 4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 2.0975 4.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 0.8438 4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 2.2024 5.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 2.2514 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 4.4353 2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 3.8105 5.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 5.4216 4.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 5.6377 4.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3272 4.9165 5.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 2.9582 6.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 3.8102 7.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 1.4954 7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1361 2.7412 6.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 1.4294 5.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8894 2.6436 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8004 1.0830 4.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -0.9365 5.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 -1.2640 5.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1976 -0.2617 6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3071 0.3992 3.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 1.6882 -3.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 2.1639 -4.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 2.6372 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 4.7254 -2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 6.4751 -3.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3666 5.4494 -4.5894 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 21 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 1 0 50 51 1 0 51 52 1 0 51 53 1 0 6 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 56 4 2 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 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 20 85 1 0 20 86 1 0 21 87 1 1 22 88 1 0 22 89 1 0 26 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 6 52124 1 0 52125 1 0 52126 1 0 53127 1 0 55128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 M END