HMDB0048174 RDKit 3D TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.9136 -4.7605 1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 -5.0086 3.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7016 -3.8975 4.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1986 -3.6384 4.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4381 -4.8326 4.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -4.8870 5.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -3.7422 6.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -4.1895 7.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 -3.2175 8.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -2.0920 9.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 -1.0481 8.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 -1.4891 7.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 -0.4888 6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 0.0197 5.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -0.1343 5.6068 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 0.7091 4.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 1.1486 3.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 1.7483 2.0563 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7423 2.7326 2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 3.0245 0.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1344 3.8776 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7479 4.4630 1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 4.2191 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 3.4044 -2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 3.4579 -2.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 2.6760 -3.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4022 3.2470 -4.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 2.6077 -5.8331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 2.7205 -5.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 2.3563 -6.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 0.9521 -7.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 0.8463 -8.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 -0.3883 -9.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -0.7055 -10.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 -1.7921 -10.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2315 -3.0596 -9.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 -3.3648 -8.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -3.6942 -7.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -3.8024 -6.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.8504 -5.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 -3.1337 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8756 -2.2120 -3.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -0.7699 -3.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 2.2163 1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 1.6829 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6514 0.7368 -0.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 2.2108 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 3.4302 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 3.9454 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 2.9051 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 3.0409 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 4.2696 1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6556 3.8928 2.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 4.0239 3.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 4.5630 2.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 3.8255 2.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5642 2.6576 3.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6903 1.6290 3.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 0.3906 3.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -0.2542 2.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 0.1268 2.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 -0.9519 3.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -2.2188 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -3.3393 2.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 -3.5686 4.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -4.8068 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1874 -5.4763 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 -3.6996 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7701 -6.0042 3.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 -5.1216 3.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 -2.9611 3.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9936 -4.0965 5.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 -3.3847 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 -2.7236 4.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -5.7344 3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -5.8300 5.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -2.7975 6.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 -3.6521 6.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 -4.4619 7.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -5.1884 7.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -3.8532 9.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4472 -2.7623 8.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 -2.4553 9.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 -1.5530 10.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3524 -0.2135 8.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -0.4968 7.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -2.4865 6.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8156 -1.6175 7.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 0.3587 6.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -0.9246 5.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 1.8116 4.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 0.2124 3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 0.8974 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 3.6466 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 2.2508 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7057 4.0357 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4852 5.3118 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 2.3411 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 3.7482 -3.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 4.5146 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 3.0082 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 1.6147 -3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8319 2.7327 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 4.3566 -4.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 3.1446 -4.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 1.5532 -5.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 3.1483 -6.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 3.7836 -5.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 2.0770 -4.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6144 2.4551 -6.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 3.0561 -7.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3451 0.2451 -6.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 0.7292 -7.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 1.0482 -8.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 1.7537 -9.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8675 -1.2161 -8.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.1772 -10.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 0.1664 -10.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 -1.7349 -10.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 -3.3772 -9.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 -3.8825 -10.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -3.3760 -8.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -3.9033 -6.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 -3.7422 -7.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -4.8444 -6.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 -1.8089 -5.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7593 -2.9901 -5.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 -3.0456 -4.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -4.1991 -4.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -2.3067 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -2.4995 -2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -0.4540 -4.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -0.1637 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -0.5096 -3.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 2.4380 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 1.4158 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 3.2850 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 4.2446 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 4.9368 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 4.0410 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 1.9403 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 2.2216 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9052 5.1298 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 4.5804 0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7686 3.4526 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 3.7399 4.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1575 5.4724 3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 5.1593 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0878 4.4399 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6613 2.3766 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0595 1.3217 4.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 1.8485 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8626 -0.0328 2.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 -1.1803 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.0999 2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 0.1795 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 -0.6700 3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -1.1344 4.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -2.1199 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -2.5737 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 -4.2509 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -2.9758 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -4.6729 4.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 -3.1034 4.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -3.1964 4.9465 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 2 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 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 18 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 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 1 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 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 17 91 1 0 17 92 1 0 18 93 1 6 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 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 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END