HMDB0300557 RDKit 3D DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0/i-22:0) 134133 0 0 0 0 0 0 0 0999 V2000 -19.5161 -0.2526 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9917 -0.6047 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6978 -1.3020 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5786 -0.8739 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4646 0.3647 -2.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9983 0.1568 -3.7148 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.9371 1.4353 -4.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6787 -0.4523 -3.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7043 -0.3791 -2.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4508 -1.0445 -3.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4457 -1.0328 -2.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5055 -0.3457 -1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5007 -0.2988 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6197 0.4146 1.0559 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.9475 0.4689 1.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8229 -0.2753 2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3947 -0.3192 1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4741 0.2688 2.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7886 1.0343 3.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1217 0.4316 4.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 1.0441 5.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8694 2.4497 5.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 2.5307 5.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 1.7480 4.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 0.4782 4.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 2.3077 3.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 1.6526 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 0.9187 2.2461 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8975 -0.0631 3.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1714 0.2807 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 -0.2953 1.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1354 0.4445 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 1.6934 1.8414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.1971 2.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 0.0419 1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -0.5793 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -0.3807 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -0.9889 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 -0.8895 -1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 -1.5001 -1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -0.8949 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 0.5252 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6153 1.0234 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.5816 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2295 -0.8393 -1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6414 -1.2751 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 -0.7513 -2.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 0.6551 -3.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4055 1.4677 -2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7297 1.0811 -1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8524 -0.2177 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3267 -0.3064 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1727 -0.2522 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4962 -1.6737 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6304 -1.1901 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.5303 0.1682 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8623 0.4739 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0539 0.2776 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7898 -1.3110 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7175 -2.2688 -0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7064 -1.5355 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4159 0.8970 -2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7512 1.0872 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7294 -0.4267 -4.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4054 1.4136 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4664 -1.0143 -4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9166 0.1675 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3097 -1.5884 -4.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4929 -1.5416 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3925 0.1767 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5994 -0.8144 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2681 1.4626 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9343 0.6329 2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1899 -1.3597 2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0739 0.1711 3.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1421 -0.8859 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4287 0.1798 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3161 2.0698 3.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8498 1.2206 3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3358 -0.6183 5.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 0.5051 6.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3265 3.0337 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1035 2.9153 6.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 2.1550 6.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0386 3.5888 5.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 0.9723 1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 2.4461 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 1.6571 2.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 -0.7141 3.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8712 -0.5143 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 1.0156 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 0.1906 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -1.3184 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 1.1400 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -0.4499 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -0.1401 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 -1.6785 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 -0.8856 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 0.7077 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 -0.3216 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 -2.0208 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 0.1798 -2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 -1.4903 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4556 -1.6480 -2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -2.5678 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 -0.9116 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 -1.5421 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 0.7802 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 1.2051 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1668 0.9528 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6177 2.1746 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 0.8780 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4521 1.1834 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 -1.5652 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7019 -1.0851 -2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 -1.1669 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6336 -2.4200 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8338 -1.0105 -3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3662 -1.4054 -3.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0613 1.2724 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6514 0.6245 -3.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6760 1.7429 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5790 2.5025 -2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 1.8711 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4633 1.0667 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7127 -1.1253 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1869 -0.3001 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5510 0.5111 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4237 0.7692 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 -0.7140 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1355 -0.8029 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9981 -1.6675 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9624 -2.4338 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5586 -1.9911 0.3363 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 28 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 52 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 6 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 0 23 85 1 0 27 86 1 0 27 87 1 0 28 88 1 1 29 89 1 0 30 90 1 0 30 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END