HMDB0289006 RDKit 3D PC(DiMe(11,5)/20:3(5Z,8Z,11Z)-O(14R,15S)) 148149 0 0 0 0 0 0 0 0999 V2000 -2.0505 4.9690 -5.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 4.0290 -6.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 2.7431 -6.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0001 1.9084 -5.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 0.6458 -4.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 0.9249 -3.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 0.8935 -4.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 1.2104 -2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 1.2541 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -0.0350 -2.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 0.2215 -2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 -0.7874 -1.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 -1.4605 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 -2.3009 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -3.0470 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -3.9416 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 -4.7322 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -5.6387 3.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -5.0088 4.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -5.0397 5.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4644 -4.3425 3.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 -3.7846 4.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4355 -2.9473 3.2140 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9922 -3.7147 2.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 -2.8242 1.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 -3.5171 -0.0862 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1354 -2.4502 -0.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -4.5947 0.4427 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3402 -4.3868 -1.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 -3.6108 -1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3784 -4.5848 -2.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3347 -3.9678 -3.4395 N 0 0 0 0 0 4 0 0 0 0 0 0 1.2868 -4.6882 -4.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -2.5920 -3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -4.1230 -2.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 -1.8944 2.7924 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -0.5889 3.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -0.2955 3.7651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 0.4499 2.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 1.8479 3.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 2.0974 4.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 3.4713 4.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 3.7755 5.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 2.9140 6.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 2.7746 5.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 3.3029 4.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 4.2490 3.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1874 5.5219 3.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9432 6.0185 3.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1815 5.4673 1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6179 5.1965 1.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3276 4.2204 2.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 4.1700 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0643 2.8613 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5773 1.7117 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2971 1.9254 1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 0.7009 2.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7313 0.2008 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.4722 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 1.9134 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6328 1.2940 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 1.4746 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 4.8238 -5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 5.0148 -4.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 6.0061 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 3.9091 -7.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 4.5455 -7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 2.1873 -7.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 2.9791 -5.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 2.4537 -4.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 1.5742 -6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 0.0237 -4.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 0.1079 -5.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 2.0946 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 1.4595 -3.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -0.1403 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 -0.8420 -2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.2258 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 0.5114 -3.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 -1.5863 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0482 -0.3032 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -0.7541 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9481 -2.1878 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -3.0878 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -1.7472 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -3.6266 1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -2.2603 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -4.7056 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 -3.4080 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 -5.3819 2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1563 -4.0807 3.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -6.4001 2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -6.3135 4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -4.5440 4.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -3.1394 5.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -2.4541 3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 -4.2815 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 -4.4693 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 -2.9261 -2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 -2.9856 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8798 -5.2676 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -5.2239 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -4.3678 -5.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 -4.4656 -5.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -5.7785 -4.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 -2.4587 -4.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -1.9915 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -2.1909 -4.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 -5.1122 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 -4.1384 -3.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 -3.2938 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 0.3453 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 0.2359 3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 2.0846 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 2.5324 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 2.0558 4.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 1.3408 4.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 4.2926 4.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 4.8910 5.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 1.8590 6.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 3.1563 7.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 2.0592 6.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9836 3.0561 4.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 3.9083 2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3593 4.5551 3.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 6.0297 4.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 6.9677 3.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 6.2782 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5255 4.6371 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2367 6.2201 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4349 4.4863 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3696 2.9829 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9953 2.4508 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3888 1.5203 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5165 0.7709 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 2.2825 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 2.7464 2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 0.9980 2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 -0.0961 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5805 0.8698 3.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 0.1704 4.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0192 -0.8606 3.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 3.0070 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.3968 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 1.7685 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 0.6291 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 1.3738 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 2.4587 -2.2517 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 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 56 57 1 0 57 58 1 0 8 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 6 2 0 53 51 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 22 94 1 0 22 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 33103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 60143 1 0 60144 1 0 60145 1 0 62146 1 0 62147 1 0 62148 1 0 M CHG 2 28 -1 32 1 M END