HMDB0048187 RDKit 3D TG(14:1(9Z)/22:2(13Z,16Z)/18:1(9Z)) 165164 0 0 0 0 0 0 0 0999 V2000 1.6437 -6.8793 2.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 -6.9908 3.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 -5.9560 4.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -6.2030 3.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -5.2224 3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5305 -4.4289 2.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 -4.4434 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 -4.7793 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -4.8065 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -3.4881 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 -3.4790 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -4.4914 -3.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -4.2715 -2.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -2.9576 -2.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -2.7149 -3.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -1.9593 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -0.6810 -1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 0.1044 -0.3548 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4703 1.2734 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 0.8106 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 1.5680 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7835 2.7730 0.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 0.9551 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -0.1777 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 0.4167 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 -0.6411 -3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -0.1258 -4.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 0.5372 -4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 1.0716 -6.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 0.0409 -7.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3831 -0.2464 -7.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1089 0.4656 -7.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 1.1648 -8.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 1.8730 -8.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 2.9217 -7.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 3.6098 -7.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 2.6765 -6.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 1.9844 -5.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 1.0568 -5.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 0.3445 -0.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -0.2428 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 -1.0340 1.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.0916 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 -0.4151 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2182 -0.1030 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -0.4796 3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 -0.2081 4.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3226 -0.6662 5.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -0.6467 7.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 0.4893 8.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 1.4378 8.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0858 2.3866 7.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 3.5422 7.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 3.3378 6.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 3.9333 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 4.8096 4.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 6.1802 4.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 6.9637 3.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 6.6255 2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 6.7005 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 6.4320 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 5.1032 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 3.9862 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1889 -7.7354 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -5.9264 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -6.8874 2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0303 -6.6790 4.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -7.9960 4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -4.9726 3.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -5.8435 5.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -6.4063 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4962 -7.2084 3.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -5.1744 4.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -3.7110 2.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -3.3568 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0232 -5.0016 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 -4.0307 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -5.7460 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 -5.6572 -1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 -5.0001 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 -3.0900 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -2.7473 -1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 -2.4758 -3.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -3.7686 -3.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 -4.4139 -4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -5.4997 -3.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -5.0267 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -4.3808 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -0.2040 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 -0.8045 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -0.6136 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 2.0857 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 1.7466 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0013 1.7067 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 0.5361 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5419 -0.9780 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 -0.5723 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8935 0.9730 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6089 1.1740 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 -1.4619 -3.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7902 -1.0501 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 0.6324 -5.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -0.9777 -5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 -0.2170 -4.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 1.4220 -4.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 1.7804 -6.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7294 1.7176 -5.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -0.5147 -7.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -1.0516 -8.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -0.3787 -7.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0616 1.0511 -6.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 0.4696 -9.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.9584 -9.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 2.3670 -9.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 1.1366 -8.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 2.5417 -6.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 3.7043 -7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 4.1008 -8.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 4.4088 -6.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 3.3165 -6.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 1.9375 -7.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5783 2.7144 -4.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 1.3820 -5.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 1.4735 -5.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 0.0617 -5.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 0.9698 -4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 1.2244 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -0.2350 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -0.0911 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 -1.5527 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 0.9683 2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 -0.6717 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.5356 3.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 0.1516 3.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 0.8716 5.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3413 -0.8263 5.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 -1.7503 5.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 -0.1555 5.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 -1.2631 7.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3767 -1.4213 7.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6627 1.0695 8.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 0.0429 9.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.8850 9.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 2.0584 9.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 2.8095 8.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 1.8513 6.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 4.4097 6.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 3.9907 8.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 2.7287 6.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 3.7627 4.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 4.7843 5.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 4.4404 3.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 6.6008 5.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 7.9815 3.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 5.6853 2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1153 7.4318 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7518 6.0244 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 7.7626 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2365 6.5843 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 7.2294 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 5.0719 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 5.0294 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 3.3670 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 4.3517 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 3.3680 0.6101 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 2 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 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 1 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END