HMDB0299772 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-19:0/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -16.9619 -1.4196 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6862 -1.0313 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0705 0.0871 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7080 -0.5862 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3756 -0.1613 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6285 -1.2481 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3122 -0.7350 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4205 -0.2070 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1733 -1.3272 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4467 -1.1198 2.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0739 -0.6336 2.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8055 0.7252 2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 1.1656 2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 0.2646 1.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 0.8011 2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 2.1867 1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8834 2.1118 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 1.2338 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.8629 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4217 3.0675 0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 1.2263 -0.4501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 1.9145 -0.1875 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6600 1.3845 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8165 2.0922 1.3104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 2.0207 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 0.9006 -2.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -0.1919 -2.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4232 -0.2481 -2.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 -1.2958 -3.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 -1.2511 -3.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -1.4143 -2.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -0.5291 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 0.3442 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6882 0.6763 -1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 0.0359 -2.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 -0.6767 -2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2965 -1.0293 -1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 -0.6472 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8892 0.1513 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 0.8798 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 0.8392 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7655 0.4123 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7886 -0.0983 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0060 0.7415 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0489 0.4397 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6598 -0.8913 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8730 -2.0828 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7579 -3.2072 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8772 -2.4390 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1348 -0.7368 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8487 -1.4088 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3557 -1.8850 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8880 1.0861 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5309 -0.0073 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1563 0.0433 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5359 -1.4270 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1446 0.2669 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7612 0.1074 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4468 0.7614 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2447 -1.4449 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5875 -2.2049 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5436 0.1284 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7960 -1.4952 -1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5281 0.1549 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9054 0.6556 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2143 -1.7065 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7891 -2.2472 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5258 -2.1301 3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0714 -0.4706 3.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3052 -1.3845 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8321 -0.5719 3.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9547 0.9001 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4155 1.4692 2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2956 2.1607 1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2212 1.3375 3.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 0.2025 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3852 -0.7760 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 0.9068 3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 0.0840 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 2.8611 1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 2.5276 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6709 3.1375 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 1.8312 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 1.1892 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 0.2115 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 2.9722 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 1.5864 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 0.3199 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 1.9172 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 2.6008 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 2.7227 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 -2.2351 -2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -1.4019 -4.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 -2.0365 -4.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -0.2409 -3.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -1.7423 -2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -2.4657 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5191 -0.6354 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 0.9184 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5149 1.7987 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4119 0.9238 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 0.1802 -3.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -1.0677 -3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3264 -0.9817 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 -2.2249 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2564 -1.1055 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5615 0.2957 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9021 0.5500 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9808 1.9913 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9491 1.2096 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0631 0.4216 -2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1115 -1.0712 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 -0.4693 0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7395 1.8524 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 0.6266 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8830 1.2343 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6731 0.6665 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1704 -1.1205 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5770 -0.8767 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6269 -2.0309 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 -2.3191 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6127 -2.9260 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 M END