HMDB0300323 RDKit 3D DG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/i-21:0/0:0) 129128 0 0 0 0 0 0 0 0999 V2000 15.1859 4.3244 1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1292 3.4717 2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3497 2.0296 1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3425 1.1152 2.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5506 -0.3124 2.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4265 -0.4708 0.5880 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1629 -0.0776 0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6918 -1.8859 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2446 -2.3075 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4528 -3.6500 -1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0146 -4.0681 -2.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2528 -3.2235 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9289 -3.8217 -3.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8264 -3.2016 -3.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7565 -1.8953 -3.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5928 -1.2924 -2.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 0.0369 -2.1368 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9410 0.0813 -0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9746 0.4121 -2.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -0.5975 -1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 -0.2456 -1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 -1.2494 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -2.1747 0.0504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -1.1674 -0.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 -2.0922 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -1.7726 -0.1874 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0357 -1.9196 -1.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5894 -0.9388 -2.4251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -0.5089 0.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -0.3751 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 -1.4501 1.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 0.8929 1.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 0.7128 2.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.3102 1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4269 0.0911 1.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1135 1.2563 2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0976 2.4465 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8178 3.6177 1.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2769 3.4222 2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1062 3.3562 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9791 2.3967 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1137 0.9500 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4596 0.5401 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6030 0.8741 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9534 0.4678 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0072 -0.9957 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3125 -1.5153 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4384 -1.6686 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0369 -0.6711 -0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2246 -0.1465 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3751 -1.1687 -1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1662 3.8487 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1771 5.3726 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0242 4.2043 0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1302 3.8343 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1933 3.5032 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2950 2.0656 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3769 1.7659 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3070 1.4675 2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4667 1.1370 3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6059 -0.5870 2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 -0.9987 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 0.1870 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2046 0.8462 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2279 -2.5528 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7134 -1.5874 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -4.3757 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1984 -5.1039 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 -3.3743 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2736 -2.1666 -3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8812 -4.8368 -4.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8585 -3.6932 -3.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6299 -1.3362 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 -1.8591 -3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0298 0.7699 -2.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -0.8720 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8218 1.4283 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 0.4540 -3.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3263 -1.6359 -1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5031 -0.5314 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3286 -0.1927 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 0.7734 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 -2.1239 1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -3.0961 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 -2.5394 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -1.8589 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -2.9501 -1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -0.2028 -2.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 1.4229 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 1.6046 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 -0.1107 3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 1.5969 2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 1.0581 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 -0.6273 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9921 -0.1828 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4889 -0.8022 2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1609 1.0052 2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6835 1.5407 3.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 2.1705 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0222 2.7277 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3821 3.8359 2.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6091 4.5035 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4002 2.5449 2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6035 4.3047 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0886 4.4011 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2010 3.3914 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1652 2.6093 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8965 2.6350 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1310 0.4640 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2775 0.4359 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4540 -0.5551 0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6170 1.1092 1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4000 0.3478 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6630 1.9521 -0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7885 0.9897 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9237 0.9186 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2077 -1.2538 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6286 -1.5404 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0862 -2.5271 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6322 -0.8940 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2723 -2.6237 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3136 -2.0552 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3928 0.2122 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2011 -0.5351 -1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7253 -0.4028 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1872 0.9624 -1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9186 -0.2700 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9594 -1.6683 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1220 -1.8206 -2.2595 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 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 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 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 6 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 1 27 86 1 0 27 87 1 0 28 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END