HMDB0298270 RDKit 3D DG(a-25:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0) 143142 0 0 0 0 0 0 0 0999 V2000 5.8425 6.3832 6.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9076 6.2486 4.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6517 4.8850 4.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6457 4.6017 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 5.5447 2.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7241 5.5151 1.4011 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0137 5.9003 1.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 6.5457 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 6.4903 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 7.4324 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 7.3451 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 6.2924 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 6.1734 2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 5.0595 3.0514 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4076 3.8500 2.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4325 4.9837 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 3.8408 4.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 2.8150 3.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 2.6321 2.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5551 2.4838 2.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2686 1.4311 2.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6992 0.2900 1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6949 -0.9946 2.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1126 -2.0666 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9428 -3.1942 2.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7436 -1.9694 0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2133 -3.0149 -0.2899 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3496 -3.4941 -1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8488 -4.5518 -2.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 -2.6671 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -2.2778 -0.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 -1.2506 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3736 -0.4525 0.6565 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 -1.0306 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -1.6176 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -1.2344 2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 -1.7363 3.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -1.3228 3.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -1.8846 2.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -1.6111 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7165 -2.2233 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2112 -1.5957 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.9140 -1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -3.2575 -1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 -4.4338 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8727 -5.7585 -1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -6.0360 -3.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -5.2797 -4.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 -5.2941 -4.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -4.4791 -5.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -4.4999 -5.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -3.7241 -6.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 -2.3007 -6.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 -1.4162 -7.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 -1.3628 -7.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -1.6173 -9.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -2.9325 -9.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 6.8326 6.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0069 7.1138 6.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6657 5.4232 6.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 7.0498 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0148 6.4396 4.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 4.0599 4.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 3.5303 3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 6.5708 3.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 5.2553 3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 4.5295 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 5.4623 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 7.2987 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 5.6750 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 8.2588 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 8.0968 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 5.5312 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 6.8760 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 5.2796 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 3.7089 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 5.9117 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 4.9667 2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2485 3.8682 5.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5884 1.9904 4.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7119 1.7093 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 3.4858 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0282 3.3253 3.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3269 1.4598 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7568 0.4546 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4777 0.0585 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7316 -1.2857 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1008 -0.8538 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 -3.8962 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1896 -3.8924 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6759 -2.6754 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2795 -5.4127 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 -1.9602 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -3.6119 -1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 0.0594 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 -1.4606 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -1.0837 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8294 -2.7021 2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -1.8307 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 -0.1828 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -1.3439 4.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 -2.8271 3.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2124 -1.7149 4.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 -0.2272 3.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 -2.9484 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -1.3275 1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 -2.1475 3.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2362 -0.5356 2.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5906 -3.2924 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 -1.9826 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 -1.6148 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 -0.4609 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1128 -1.2022 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7581 -1.5687 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 -3.4277 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 -3.1653 -2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -4.3145 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -4.5059 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 -6.5329 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8115 -6.0908 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 -7.1288 -3.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 -5.9145 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7887 -5.9268 -5.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -4.3210 -4.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7419 -6.3833 -4.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -5.0073 -3.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 -3.4560 -5.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 -4.9876 -6.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6323 -4.0744 -4.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -5.5433 -5.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.3069 -7.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 -3.7299 -6.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 -2.2619 -6.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -1.8213 -5.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 -0.3611 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -0.5868 -7.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -2.3409 -7.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -0.9983 -6.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 -0.7729 -9.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -1.4982 -9.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -3.4293 -9.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -3.6622 -9.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 -2.7484 -10.6762 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 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 54 56 1 0 56 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 6 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 1 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 55136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M END