HMDB0295495 RDKit 3D DG(16:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0) 111110 0 0 0 0 0 0 0 0999 V2000 -14.6680 -3.3496 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8458 -4.2016 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6156 -3.5765 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5394 -3.1905 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8683 -2.2487 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6001 -1.9403 -1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6072 -1.3039 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2987 -0.8811 -1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5371 0.0682 -2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5247 0.6462 -3.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 1.4870 -2.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1985 1.2028 -2.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 0.7045 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 0.6049 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 1.9738 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1913 2.0134 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 3.1793 1.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 0.9743 1.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 1.1953 2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 1.7591 1.6714 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3266 0.7837 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 1.3161 -0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 2.0715 2.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 3.3751 2.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7501 4.2244 1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 3.7598 3.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 5.2541 3.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 5.5368 2.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6354 5.0153 2.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2097 4.0675 1.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5503 3.2792 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3036 3.4830 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0207 2.5029 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1904 1.1808 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 0.0823 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -0.8078 -1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0978 -0.7557 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 -1.6640 -1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3882 -1.5222 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6702 -0.5424 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4541 -2.4891 -1.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8638 -3.8496 -1.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 -4.3722 -0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0697 -4.6273 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7831 -3.5286 1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4432 -2.2572 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7711 -3.3690 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7156 -3.6810 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4924 -4.4302 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6148 -5.2051 0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8837 -2.6956 2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1264 -4.2841 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 -4.0780 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7561 -2.6781 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1839 -1.2667 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6313 -2.6767 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9303 -1.3059 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2704 -2.9323 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2362 -2.0539 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9984 -0.4191 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7883 -0.3302 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7854 -1.8121 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3302 -0.3927 -2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1516 0.9729 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1573 1.2814 -3.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1389 -0.1688 -3.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 1.9645 -3.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8233 2.5200 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 2.1104 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5995 0.4471 -2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -0.4162 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 1.2171 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 -0.0220 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 0.1773 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 2.3437 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 2.6821 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 1.7415 3.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 0.1616 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 2.6867 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -0.1166 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 0.5000 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 0.5769 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 3.6310 4.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2008 3.1560 3.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 5.7609 3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 5.6086 4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 6.6801 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 5.2682 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2294 5.5586 3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 3.8373 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 3.6874 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 2.2442 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 4.4479 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 2.7422 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 1.0774 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2425 1.0129 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 -0.0114 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -1.5983 -2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4787 0.0264 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6496 -2.4401 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2833 -2.4335 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8213 -2.0741 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6024 -4.5707 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1014 -3.7498 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 -5.3613 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -3.7512 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -5.1168 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7962 -5.5044 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8751 -3.4847 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7691 -3.7747 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3303 -2.5500 1.1327 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 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 19 77 1 0 19 78 1 0 20 79 1 6 21 80 1 0 21 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 38100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 M END