HMDB0295499 RDKit 3D DG(16:0/18:2(10E,12Z)+=O(9)/0:0) 109108 0 0 0 0 0 0 0 0999 V2000 -17.2675 -1.4011 -1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4574 -0.3120 -2.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4531 0.2087 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5972 -0.9570 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5689 -0.5136 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7368 0.5370 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4462 0.4334 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6794 -0.7265 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3638 -0.7926 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5565 -1.9226 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0784 -2.9367 0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0907 -1.8894 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4907 -0.6752 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7848 -0.7034 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2238 0.4090 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8789 0.5974 3.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 0.5632 2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1356 -0.7086 1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -0.2755 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 0.0164 -0.1874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -0.2622 1.8284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 0.1244 1.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8404 1.4418 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 2.3482 1.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -0.9489 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -0.6143 1.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -0.4440 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 -0.5916 -0.8711 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 -0.0829 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 1.3864 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1217 1.6096 -1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 3.0559 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8438 3.2331 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8372 2.7341 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 2.9671 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5566 2.2546 -2.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4496 0.7593 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4605 0.2165 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3274 -1.2869 -1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2837 -1.9510 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7095 -1.6279 -0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7220 -2.2811 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5680 -3.7831 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3477 -1.3376 -2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2577 -1.2782 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9354 -2.4062 -2.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1495 0.5087 -2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8701 -0.7331 -3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0305 0.6438 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8732 0.9974 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0777 -1.3458 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1905 -1.7929 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0161 -1.3772 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1355 -0.0417 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2460 1.4470 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9496 1.3084 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1327 -1.5862 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8958 0.0712 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -2.8252 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8143 -1.8263 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4847 -0.5105 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0677 0.2507 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -1.7171 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9074 -0.7075 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8879 0.5869 3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5276 1.4151 2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 1.6805 3.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -0.0439 4.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7631 1.2533 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 1.0765 2.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.1967 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 -1.4065 2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 0.3647 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 1.2812 3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 1.8582 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 2.3835 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -1.9014 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -1.1798 2.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2643 -0.4563 0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 -0.5850 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5477 1.9594 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 1.8161 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7156 1.1681 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3702 1.0635 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 3.4318 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1791 3.6924 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0246 2.6306 -2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 4.2739 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 3.3441 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.6803 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3666 4.0420 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0045 2.6830 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9491 2.5895 -3.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6168 2.5038 -2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7393 0.3491 -3.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 0.3970 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2361 0.6563 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4405 0.5080 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3008 -1.5769 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4243 -1.7016 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1281 -1.6316 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1644 -3.0544 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8839 -0.5369 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9556 -1.9941 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7254 -1.9867 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5462 -1.9142 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8593 -4.1145 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5776 -4.2716 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1736 -4.0864 -0.7889 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 2 0 9 10 1 0 10 11 2 0 10 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 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 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 6 23 74 1 0 23 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 M END