HMDB0045775 RDKit 3D TG(20:0/20:1(11Z)/18:3(6Z,9Z,12Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -5.2980 -3.0761 -8.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -3.4470 -8.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 -2.6320 -7.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 -2.5482 -6.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -3.7256 -5.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8757 -4.7815 -5.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7434 -5.2100 -4.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -4.6466 -3.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 -4.1020 -3.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4258 -2.8765 -3.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4009 -1.8521 -2.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5614 -1.3193 -1.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 -1.2892 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -1.8215 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 -0.6565 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -0.8965 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -1.8556 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -1.9624 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5921 -1.4416 -0.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -2.6057 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 -2.7190 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -1.3760 1.5829 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1411 -1.2465 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3807 0.0262 0.3375 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5164 0.4310 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4904 -0.4000 -0.3322 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7661 1.7482 -0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 2.2549 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 3.4874 -2.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 4.7378 -1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 5.3330 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 6.6729 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 7.4813 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 7.7188 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 8.6406 2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 8.8333 2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 7.5469 2.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 7.7108 2.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4675 6.3797 3.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 6.3490 3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 6.5471 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 5.4642 1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 4.0877 1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 3.7347 2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 4.4465 3.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 -0.6981 2.7729 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7685 0.2898 3.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 0.6460 2.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.0309 4.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 1.6639 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 0.5756 4.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 -0.1827 5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 -1.3378 5.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 -2.4173 4.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 -3.5200 4.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 -4.5798 3.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -5.7270 2.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -5.1314 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 -5.5888 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -6.6797 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -6.2314 -0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -7.3517 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -6.9753 -1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 -5.8954 -0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -5.5083 -1.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9253 -4.9680 -3.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -4.5960 -3.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9072 -3.9549 -8.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -2.9159 -7.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5428 -2.1932 -9.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6531 -3.1130 -9.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -4.5228 -8.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -1.5596 -8.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -2.8980 -8.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -1.7387 -6.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 -2.0257 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7269 -3.3576 -4.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -4.2271 -5.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 -5.3060 -6.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -6.0351 -5.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7238 -5.5612 -2.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -3.9848 -3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 -4.7855 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4742 -2.4886 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 -0.9874 -3.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3857 -2.0819 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5688 -0.8950 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9066 -0.8648 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1763 -2.5114 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -2.4067 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6288 -0.2828 0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 0.2213 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 0.0869 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5706 -1.3047 -1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -1.5692 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -2.8763 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 -3.1155 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -3.4623 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -0.7403 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9414 -1.4977 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3068 -1.9956 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2927 2.4576 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 1.6382 -1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8554 1.4521 -1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 2.4598 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2681 3.6843 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 3.3211 -3.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 5.5292 -2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 4.6774 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 4.7209 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 5.5381 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9041 7.3135 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1469 6.5373 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 8.5247 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 7.1045 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 6.7843 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 8.1301 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 8.3136 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 9.6356 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 9.5659 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 9.2302 1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 6.7425 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 7.2084 3.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 7.8563 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 8.5312 3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 5.5809 2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 6.1789 4.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 5.3821 4.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 7.1696 4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 6.6441 2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 7.5245 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 5.7165 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 5.5143 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 3.3382 0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 3.8870 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9643 3.6753 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 2.6299 2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 3.6845 3.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 4.8354 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6851 5.2206 2.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 0.3216 5.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 1.8391 4.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.2539 3.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 2.2622 5.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2538 -0.0673 3.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.0855 4.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 -0.6068 5.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 0.4471 6.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 -0.9402 5.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 -1.7825 6.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -2.0242 3.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 -2.9669 5.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 -3.0204 3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -3.9107 5.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -5.0488 4.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2239 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -6.1200 3.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -6.5015 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8414 -4.3181 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 -5.1357 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -7.3473 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 -7.3905 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -5.4330 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -5.8098 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 -7.8826 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 -8.1564 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -6.6190 -2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 -7.8641 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 -6.1717 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 -5.0001 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 -4.7183 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -6.3942 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -5.7122 -3.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -4.0433 -3.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9036 -4.0312 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 -3.9152 -4.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6774 -5.5317 -4.2074 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 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 1 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 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 67177 1 0 M END