HMDB0299964 RDKit 3D DG(20:3(5Z,8Z,11Z)-O(14R,15S)/i-20:0/0:0) 125125 0 0 0 0 0 0 0 0999 V2000 16.1705 -1.7944 2.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4103 -2.3473 1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4116 -1.2839 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2188 -0.0863 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3996 1.0760 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4205 1.5370 1.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 2.7024 0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9969 1.4888 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 0.7614 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8979 0.8697 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0518 1.4271 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4540 2.0364 -1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0632 1.5965 -3.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3505 0.6219 -3.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6885 -0.3905 -2.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -0.4071 -3.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -0.2690 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5407 -0.0782 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 -1.1620 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -1.1560 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 0.1831 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 1.0855 -0.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 0.3474 1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 1.6075 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 2.0021 1.1198 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2141 3.4001 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 3.7418 0.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.0498 1.3049 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 0.3223 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 0.5238 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 -0.6177 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 -1.2707 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -0.2704 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 -0.8430 -2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1415 -1.8143 -2.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3651 -1.4654 -1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1896 -1.1985 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -0.8481 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1491 0.3804 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7875 0.6379 -0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7407 -0.4531 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8267 -0.5610 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8359 -1.6390 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8729 -1.6872 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6013 -0.3916 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6251 -0.5621 1.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3547 0.7519 1.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0670 1.1628 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3626 0.6093 3.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5315 -1.2586 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0457 -1.1922 2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6031 -2.6724 3.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 -2.4953 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8191 -3.2259 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 -1.1166 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8453 -1.6565 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8760 -0.4002 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9171 0.2422 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8851 0.7446 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0744 1.9144 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9190 1.9025 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3892 1.4842 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 0.9937 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 -0.3370 0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 0.4306 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 1.4493 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5977 2.1185 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2194 3.1880 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4743 2.2527 -4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 0.4981 -4.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0365 -0.4811 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -1.3898 -3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.5566 -4.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 -0.3002 -2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 0.9217 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 -0.2682 -0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2687 -2.1584 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 -0.9377 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 -1.4311 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 -1.9097 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 1.6215 3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 2.3340 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 2.0287 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 3.2844 2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0318 4.1295 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 3.5399 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -1.3704 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -0.0807 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 -2.0310 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8506 -1.8095 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 0.2716 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7621 0.5322 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3277 -1.2072 -3.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 0.0589 -3.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -2.7823 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4876 -2.1457 -3.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0238 -2.4152 -1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9922 -0.7201 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 -0.5414 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -2.2026 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1582 -0.8709 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1097 -1.7401 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9716 0.4499 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5148 1.2962 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4694 1.5778 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1724 1.0266 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2626 -1.4434 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1813 -0.2661 -2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3412 -0.8727 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3011 0.4345 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3700 -2.6119 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3462 -1.2846 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5832 -2.5205 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3159 -1.9336 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9552 0.4396 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0761 -0.0896 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0973 -0.7675 2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3104 -1.4162 1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6004 1.4938 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4358 1.7124 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3906 0.2277 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9196 1.8046 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9242 1.5796 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8706 0.4310 4.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0692 -0.1992 2.8182 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 7 8 1 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 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 8 6 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 6 26 84 1 0 26 85 1 0 27 86 1 0 31 87 1 0 31 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 48120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END