HMDB0050750 RDKit 3D TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 9.6784 1.3658 -4.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0271 2.5893 -5.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8856 2.1293 -6.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 2.5263 -5.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2255 3.4893 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5461 4.6838 -5.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 4.9848 -5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 4.1595 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 3.7303 -4.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 4.0496 -4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 4.8653 -3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 6.0592 -3.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 6.3527 -3.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 5.5005 -2.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 6.3334 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 5.5441 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 4.4118 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2829 3.6354 1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 2.6356 1.9354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4784 3.8871 2.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 2.9454 3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2116 1.6059 2.7407 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0718 0.6317 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 -0.6326 3.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -0.9740 2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5799 -0.2025 2.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 -2.3748 2.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1737 -2.7412 2.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -4.1642 1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5332 -4.2957 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5005 -5.5635 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8298 -6.7685 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3009 -7.3586 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -8.6557 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -8.3937 1.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 -7.5341 2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -6.4156 2.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -5.7555 1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 -5.6042 2.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -4.8249 3.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -3.4413 3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 -2.6585 4.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -2.2756 4.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 -3.2911 5.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -4.3219 6.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 1.0638 1.7684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 0.7158 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 0.9013 0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 0.1522 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 0.2939 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 -0.3670 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -0.0979 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 -0.6262 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -0.4741 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 1.0183 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 1.2767 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 1.8361 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 2.2910 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 3.7300 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 4.1457 1.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3912 3.2479 2.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 3.4391 2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 3.7806 3.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 4.0290 4.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 5.4586 5.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8229 0.5460 -5.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 0.9648 -3.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 1.6307 -4.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8528 2.9390 -5.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 3.3346 -4.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 1.3899 -6.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 2.0673 -6.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 3.9236 -4.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7232 3.1059 -3.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 5.3113 -6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 5.8983 -5.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 3.1580 -4.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 4.5357 -3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 3.1316 -5.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 3.7225 -5.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 4.2763 -2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 5.3166 -2.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 6.7319 -4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 7.2703 -3.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8963 5.3780 -2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 4.5180 -2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 7.1423 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 6.7546 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 6.2561 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 5.2420 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 3.7454 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 4.7625 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9344 2.9335 3.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 3.3613 3.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 1.6679 2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 0.6458 4.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 0.9559 4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -2.4756 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4001 -3.0942 3.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7866 -2.7208 3.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6258 -2.0203 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9437 -4.8011 2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3630 -4.3330 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9918 -3.5003 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 -3.9086 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0353 -5.3342 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5752 -5.8090 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9432 -7.6210 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7033 -6.6593 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3687 -7.6248 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0821 -6.7361 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 -9.4136 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9759 -9.0580 2.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 -8.0225 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -9.4046 2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 -7.9158 3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 -5.8951 3.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 -4.7278 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 -6.2657 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 -6.5980 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -4.9971 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 -4.9056 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -5.3819 4.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -2.8732 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3888 -3.5417 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -3.1915 5.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -1.6837 4.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 -1.5227 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 -1.6562 5.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 -3.6758 4.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -2.6816 5.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.6148 6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -3.9436 7.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 -5.2612 6.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 0.6240 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 -0.9263 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.3641 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 -0.1740 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -1.4786 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 -0.0634 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 -0.4564 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 1.0286 0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -1.6548 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 -0.0055 -1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 -1.0756 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6607 -0.8717 -2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 1.4480 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 1.5100 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 0.9721 -2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0681 1.9786 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 2.0712 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 1.7220 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 4.5011 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 5.2337 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 3.7136 3.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 2.2257 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 3.2692 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 3.8861 3.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 3.7507 5.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 3.4080 5.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6233 5.8146 4.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9312 5.5274 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8947 6.1493 5.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 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 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END