HMDB0299469 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-17:0/0:0) 114113 0 0 0 0 0 0 0 0999 V2000 -14.7690 0.6733 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6625 -0.1295 1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1465 -0.7888 0.2371 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.2133 -1.6472 0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9897 -1.4854 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3471 -1.1294 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2167 -1.9007 -1.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5102 -1.6350 -3.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 -0.5258 -3.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8977 0.6121 -4.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8015 0.8891 -3.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 0.0759 -2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2202 0.9865 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1886 1.2699 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8237 0.7722 -0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 1.9867 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9953 2.3331 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 1.4853 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 2.3234 2.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8656 1.6359 3.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 1.2438 3.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2526 0.6055 4.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 1.4788 3.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 1.0279 3.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 1.3717 2.7625 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0884 2.9134 2.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 3.3324 1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 0.7671 1.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 0.0815 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2533 0.0826 2.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5843 -0.5425 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 -1.2414 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -2.3605 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 -3.0040 0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 -2.0130 1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7623 -2.5038 1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4356 -3.0817 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5024 -2.0785 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1977 -0.8158 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6097 -0.8774 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4991 -1.4505 -1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 -0.6045 -2.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 0.8189 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1898 1.0103 -1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.5172 -1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 0.5276 -2.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8750 0.3195 3.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7217 0.5114 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4511 1.7380 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3377 -0.9592 2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8140 0.5268 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5118 0.0131 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8993 -2.5783 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6078 -2.3755 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6960 -0.2648 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8831 -2.7761 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6916 -2.3657 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0393 -0.9566 -4.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7987 -0.0878 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2378 1.3534 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2668 1.8206 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6587 -0.8428 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1401 -0.1762 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2471 1.3788 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2869 1.9586 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 0.1608 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 0.1826 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 2.5865 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3821 3.2298 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 0.4918 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 1.3705 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 2.7896 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3419 3.2223 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 0.7042 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 2.3070 4.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 1.4990 4.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.0693 3.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 1.1842 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 3.3546 3.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 3.1526 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 3.8654 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -1.3113 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 0.1715 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -0.4255 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2737 -1.5354 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7979 -2.0227 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -3.1421 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 -3.8798 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -3.3502 -0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 -1.1387 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -1.6147 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 -3.3364 2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -1.6730 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 -3.5261 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 -3.9194 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4726 -1.9126 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0561 -2.5474 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 -0.0689 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5857 -0.3222 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7858 -1.3619 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9596 0.1896 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5386 -1.5428 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1848 -2.4671 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4146 -0.7242 -2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1544 -1.0645 -3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7541 1.3108 -3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 1.3872 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4644 0.5135 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0852 3.0694 -2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4195 2.7866 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7028 2.8976 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6198 0.6039 -3.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 -0.5299 -2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9900 1.2111 -2.6983 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 26 27 1 0 25 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 6 4 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 1 26 79 1 0 26 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END