HMDB0295037 RDKit 3D DG(14:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0) 107106 0 0 0 0 0 0 0 0999 V2000 -12.1378 0.0464 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8100 -1.4174 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1688 -1.8142 -1.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8714 -3.2254 -1.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4924 -3.7238 -1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4985 -3.2314 -2.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0239 -1.8503 -2.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2809 -1.3648 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9282 0.0600 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1622 0.7320 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9683 0.7265 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4992 1.3316 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2737 0.8756 2.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 1.1967 1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0618 2.0576 0.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 0.5928 2.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5899 0.7255 1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 1.9571 1.9934 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4748 3.2850 1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5942 3.5906 0.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 1.9535 1.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 1.9552 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 1.9560 3.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 1.9573 1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 0.5648 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 0.5894 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 1.5220 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2962 2.6006 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4436 3.2066 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 2.6425 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 2.1584 -1.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 2.0322 -2.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9007 2.5082 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8187 1.7760 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 0.2735 -0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7909 -0.2993 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 -1.0519 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9159 -1.5375 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4211 -1.2540 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8127 -1.8796 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8251 -3.3615 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2679 -3.8038 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1782 -3.2636 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1783 0.1861 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3781 0.5161 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1698 0.5857 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4780 -1.9617 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7899 -1.6437 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7858 -1.0465 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3013 -1.7103 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3529 -3.5362 -2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5096 -3.8391 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5563 -4.8582 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1362 -3.6845 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5877 -3.9329 -2.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9453 -3.4348 -3.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2378 -1.8211 -3.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7799 -1.1442 -3.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7027 -1.6482 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2734 -1.9213 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2499 0.0910 -2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7920 0.7049 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 0.1783 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9365 1.7478 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9422 1.2799 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 -0.3206 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3657 1.2143 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4451 2.4696 1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2821 -0.1856 2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 1.4525 3.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 -0.1996 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 0.7345 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 1.9591 3.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 4.0558 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 3.4753 2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 3.0033 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 2.6917 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 2.3085 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 0.3345 2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -0.1818 1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -0.4783 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 0.7024 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 1.2333 3.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 3.1804 2.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 3.5105 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 4.2681 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 2.6676 -0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 1.7593 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0149 0.9889 -2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 2.5847 -3.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 3.6211 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 2.2532 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 0.0204 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 -0.0934 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8910 -0.0504 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4235 -1.3941 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9629 -2.6938 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7078 -1.2437 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5962 -0.1789 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8076 -1.7493 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5162 -1.3698 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0795 -1.5994 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 -3.8401 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4738 -3.7851 -0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4904 -3.3820 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3518 -4.9057 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2466 -3.7395 0.4598 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 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 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 0 17 72 1 0 18 73 1 1 19 74 1 0 19 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 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 M END