HMDB0050159 RDKit 3D TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -1.2478 2.2750 9.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 1.3261 8.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 0.8036 8.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 -0.4717 8.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -1.5111 8.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -2.1969 9.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -3.4342 10.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 -4.4403 9.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7689 -5.5106 9.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -5.9574 8.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -5.5564 7.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 -4.5232 6.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -3.3994 5.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 -3.0933 6.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 -2.9244 4.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6977 -3.0530 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -3.4127 3.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -2.3269 2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 -2.5091 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 -3.7491 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 -4.1386 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -3.0908 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 -2.0807 -1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -3.2229 -1.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -2.2289 -2.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 -2.6018 -2.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4562 -2.7564 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -3.6796 -0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -3.8128 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -3.0498 1.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 -4.6939 2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -4.6849 2.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3896 -3.3976 3.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -2.3004 2.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 -1.0285 2.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 -0.1076 1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 1.2112 1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 1.9225 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 2.3010 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 2.0176 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 3.3156 1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 4.0187 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 3.1615 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 3.8672 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 2.9837 -2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 1.6525 -2.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 1.7313 -3.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 -1.6595 -3.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0459 -1.9693 -4.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -3.1598 -4.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8777 -1.1068 -5.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -0.1931 -6.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 -0.8787 -7.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -0.5577 -7.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 0.6104 -7.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 1.5472 -8.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 1.9280 -8.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 1.5644 -8.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 2.7485 -8.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 2.9972 -7.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 2.1326 -5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 2.8852 -4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3162 2.5691 -3.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 1.4662 -3.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 1.3735 -3.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 2.2774 -3.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6115 3.6865 -3.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 4.5142 -4.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 5.9770 -4.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 6.9262 -5.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 8.3362 -5.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 2.6652 9.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 1.7263 10.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 3.1024 9.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 2.0567 7.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 0.6548 7.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 1.5562 8.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 -0.7776 8.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -1.0897 8.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 -2.1760 7.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -1.5026 10.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0116 -3.8224 11.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 -3.9816 8.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -4.8814 9.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -6.0313 10.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 -6.8334 8.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -5.3787 6.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 -6.5338 6.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 -4.6284 6.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 -2.6644 5.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 -2.0217 6.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -3.6824 6.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 -2.6450 5.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 -2.8652 2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -4.2475 2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -3.9481 3.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 -1.3522 2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -1.5911 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 -4.6010 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 -3.4705 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 -5.0164 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -4.4024 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7522 -2.1095 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -1.2788 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -3.5608 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -1.7165 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5447 -2.9755 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -4.5788 2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 -5.7663 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -5.4120 3.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -5.1190 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.6009 3.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 -3.1015 4.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -2.0095 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 -2.6570 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -0.6071 3.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6892 -1.3290 3.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 0.1789 1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -0.6325 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 1.7436 2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 1.0871 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 2.1636 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.8172 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 1.5638 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6714 1.3565 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 3.9934 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 3.0470 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 4.2296 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 4.9272 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0929 2.9462 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 2.2133 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3537 4.8593 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 4.0563 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8314 2.8090 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5597 3.4712 -2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 1.1164 -3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1781 1.0006 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 1.4801 -3.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7071 0.9586 -4.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 2.7191 -4.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -1.7772 -5.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5515 -0.4990 -4.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 0.6328 -5.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2753 0.2851 -6.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -1.7375 -7.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 -1.1447 -8.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 1.0617 -6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.1626 -6.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 1.9526 -8.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 2.6424 -9.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 0.7473 -7.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 1.1343 -9.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 3.5039 -8.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 3.9801 -7.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6643 1.8784 -5.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 1.1835 -6.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8443 3.8140 -4.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 3.2770 -2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 0.8256 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 0.6996 -4.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 0.2930 -3.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9574 1.9634 -3.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 4.1037 -3.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 4.0401 -2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3238 4.4107 -4.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 4.3098 -5.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 6.1277 -4.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 6.2616 -3.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 6.8288 -5.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0549 6.8041 -6.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 8.5915 -5.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8354 9.0918 -5.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 8.3328 -3.8861 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 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 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 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 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 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 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 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 63158 1 0 64159 1 0 64160 1 0 65161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END