HMDB0295851 RDKit 3D DG(18:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0) 119118 0 0 0 0 0 0 0 0999 V2000 -16.8341 -0.4446 4.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8434 0.5647 4.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8033 0.9431 3.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0497 -0.2987 3.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9761 0.0295 2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3252 -1.2503 1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3075 -1.7514 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9226 -1.1106 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8987 -0.7918 -1.5068 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2635 -1.9345 -1.9594 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8914 0.1112 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6036 -0.1512 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6040 0.7206 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3365 0.5037 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8006 -0.6547 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -0.1145 -2.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 -0.3345 -2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 -1.1659 -1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -0.3273 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 0.8052 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 1.7739 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 2.8548 0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 1.4167 -0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 2.2679 0.5101 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5446 1.7287 1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 0.4662 1.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 2.8087 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 1.9677 -1.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 1.3193 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 1.5189 0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 0.4077 -2.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8281 0.4328 -1.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 1.8282 -2.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6356 2.1968 -1.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 1.5702 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 0.1254 -2.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4051 -0.0794 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7217 -1.5164 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7657 -2.0705 -1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0884 -1.4144 -1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8093 -1.3736 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0487 -2.7187 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 -2.8179 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1148 -2.3961 1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 -0.9838 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7182 0.0094 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2052 1.4009 1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9383 -0.2984 3.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7743 -0.4252 4.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3327 -1.4515 4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4175 0.2039 5.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4589 1.4770 5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0722 1.6218 4.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3032 1.3780 2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7649 -1.0149 2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5345 -0.8077 4.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3223 0.6353 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1687 0.6485 2.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8169 -1.8589 2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7958 -2.7217 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6335 -1.8803 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5256 -0.2302 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4528 -0.2900 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1708 -1.9895 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1516 0.9937 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3924 -1.0242 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9306 1.5935 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6494 1.2227 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1866 -1.2147 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5774 -1.3587 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5253 0.5295 -3.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 0.1078 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -1.7585 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -1.9167 -2.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -0.9849 -0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -0.0278 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9908 0.3546 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1157 1.3521 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 3.1799 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 2.4772 2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2345 1.6981 2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3584 -0.1454 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 3.4896 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 3.5561 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0669 0.7764 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -0.6447 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -0.3315 -2.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 0.0774 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 2.5602 -1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9291 2.0432 -3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 2.0735 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7145 3.3424 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6344 2.1266 -2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4911 1.8159 -3.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.6071 -2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -0.0490 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 0.6218 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 0.1718 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7718 -2.0868 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9138 -1.7561 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -1.9843 -2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8201 -3.1741 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 -0.4002 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7588 -2.0081 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2704 -0.7263 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7600 -0.8633 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0279 -3.2133 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5424 -3.4006 -0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6173 -3.8899 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -2.2169 2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8093 -3.0104 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4176 -2.6487 2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5543 -0.8982 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5940 -0.6869 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 -0.1558 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6283 -0.0139 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9305 2.1280 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7587 1.7180 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3185 1.4451 1.7926 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 1 0 9 11 1 0 11 12 2 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 24 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 6 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 1 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END