HMDB0300273 RDKit 3D DG(20:4(6E,8Z,11Z,14Z)+=O(5)/0:0/i-21:0) 126125 0 0 0 0 0 0 0 0999 V2000 -17.0797 3.8251 0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7699 3.0337 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0071 1.6624 1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8187 0.7588 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3456 0.5546 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1836 -0.3394 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0305 0.0027 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7525 1.3554 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6567 1.9305 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5165 2.3146 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1721 2.2444 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1018 1.4320 -2.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3391 0.6061 -2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4171 0.3184 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5445 -0.5594 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6165 -0.8591 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 -0.3308 1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6218 -1.8054 1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2801 -3.1101 2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -4.0802 2.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 -4.4472 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 -5.1509 2.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 -4.1307 0.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -4.4769 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 -3.9312 0.1464 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5772 -4.2790 -0.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 -2.4498 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -1.9142 0.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -1.8318 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -2.2799 -0.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 -1.2152 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 0.2884 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.6378 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 0.1142 -1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 0.6685 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8394 0.1364 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -1.3447 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1966 -1.8357 -1.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -1.2858 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 -1.8682 -1.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9963 -1.4899 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4672 -0.1095 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8096 0.9951 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7280 0.8883 0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0297 0.7909 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8757 2.0103 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2073 1.8919 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9666 3.1691 1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3085 3.2364 2.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0389 3.3173 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7822 3.4658 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5257 3.7285 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9042 4.8871 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5242 3.0415 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0366 3.5948 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8096 1.1982 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4588 1.6809 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9721 1.1867 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0506 -0.2345 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1635 0.0202 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2462 1.5276 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3512 -1.3735 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2021 -0.7285 -0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5825 2.0580 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4889 1.1861 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8309 2.0305 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7769 2.7802 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9178 3.3624 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0915 2.1014 -2.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9056 1.5374 -3.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 0.0496 -2.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1111 0.6943 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8147 -1.0116 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 -1.3392 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8412 -2.0450 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8122 -3.5598 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0826 -2.9717 2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 -3.6479 3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9078 -4.9816 2.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1225 -4.0621 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 -5.5901 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -4.3918 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2441 -5.1901 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -2.2247 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9854 -1.9587 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7985 -1.3557 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 -1.6439 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 0.7450 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 0.6681 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 1.7316 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 0.2130 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3235 -0.9742 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3914 0.5078 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 0.4194 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 1.7610 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7421 0.6285 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 0.5179 -2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 -1.8823 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -1.6610 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2280 -2.9590 -1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1774 -1.6708 -2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -1.6418 -0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -0.2172 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5407 -2.9950 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -1.7187 -3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6896 -2.1128 -2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2271 -1.9513 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 0.1623 -2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5978 -0.0696 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5046 1.9083 -1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8668 1.3920 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 0.1212 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2561 1.8587 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8183 0.7735 2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6305 -0.0997 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4166 2.9509 1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1256 2.1234 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 1.7961 2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 1.0343 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3149 4.0089 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0476 2.7534 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2277 2.6451 3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6125 4.2898 2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0936 2.3375 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9569 3.8810 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1457 3.8458 -0.4461 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 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 49121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END