HMDB0046090 RDKit 3D TG(20:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -8.8128 -6.8560 3.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3317 -5.8691 2.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8447 -6.2845 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1227 -6.6029 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6423 -6.5857 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1336 -5.6384 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3842 -4.6370 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9108 -4.2551 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 -4.3201 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -3.3506 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 -1.9807 1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 -1.4398 2.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 -1.3991 2.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4423 -0.5126 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 0.9530 1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 1.6206 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5069 3.0785 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 3.6477 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 4.7471 -0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 3.1403 1.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 3.7320 1.0969 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3459 4.3635 2.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 3.3090 3.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 3.5437 4.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 4.7714 5.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5923 2.5442 5.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 2.5791 6.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 2.3128 5.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 3.2501 4.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 3.9726 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 3.9981 5.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 5.4268 5.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 6.1887 5.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 5.6430 4.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 6.4312 3.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 7.1291 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 7.2611 3.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 8.7077 3.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8626 9.4041 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7433 8.8139 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 9.5759 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2498 9.0550 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8396 9.8684 -1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 9.3587 -3.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3095 2.9166 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 2.4000 -0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4003 1.4475 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 1.0442 -0.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 0.8863 -2.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 1.7193 -3.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1383 1.3340 -4.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 0.0683 -4.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -1.2352 -4.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0641 -2.3578 -5.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 -3.6459 -4.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -4.9151 -5.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -5.3769 -4.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 -4.5179 -4.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1927 -5.2284 -3.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 -4.2674 -2.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -4.6353 -1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.7852 -2.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -5.8550 -3.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -5.9769 -4.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -7.2998 -4.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -7.4708 -6.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -6.4025 -6.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9216 -6.7951 3.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4445 -7.8712 3.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4277 -6.5594 4.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2486 -5.7350 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7797 -4.8736 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9665 -6.3144 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5933 -6.8992 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -7.6216 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -6.5125 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 -5.8256 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0516 -3.9816 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 -4.9797 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 -3.2886 1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -5.3095 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -3.5441 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6172 -1.3555 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -1.8947 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 -2.1056 3.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8045 -0.4223 2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -2.4245 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -1.0219 3.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.5192 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 -0.9432 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 1.1431 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 1.3012 2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 1.0773 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 1.4316 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 3.3944 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 3.5679 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 4.6756 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 5.2722 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 4.6205 2.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 1.5008 5.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 2.6790 6.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 3.5178 7.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 1.7819 7.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1705 2.1476 6.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 1.2515 5.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 3.3737 3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 4.6612 3.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 3.5720 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 3.4414 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 5.8076 6.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 7.2025 5.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 5.8576 4.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 4.5835 4.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 6.4152 2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 7.7070 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8889 6.7926 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5069 6.8420 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 9.1677 4.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9586 10.4923 3.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 7.7685 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8197 9.0503 2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 10.6590 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 9.5101 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3269 9.2015 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 8.0051 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 10.9278 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 9.6533 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 8.3320 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 9.3952 -4.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5528 10.0047 -3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4419 2.1154 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2791 3.4981 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3354 0.8704 -2.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9123 -0.1521 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4128 1.8506 -2.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8872 2.7566 -3.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 2.2167 -5.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1214 1.3652 -5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 0.0551 -4.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 0.1377 -6.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 -1.4776 -3.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -1.4101 -5.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 -2.1754 -6.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -2.1852 -4.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2194 -3.7398 -3.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -3.6466 -5.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -4.9193 -6.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8086 -5.7574 -5.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 -6.3993 -4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -5.6896 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -4.1850 -4.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 -3.6253 -3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 -5.3557 -2.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 -6.2139 -3.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -3.3445 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6455 -3.8050 -3.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0497 -3.7192 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -4.6616 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 -6.7748 -1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 -5.8139 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 -6.7956 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 -5.0181 -3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -5.1386 -5.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 -6.0767 -5.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 -7.5256 -4.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -8.0756 -4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -7.5610 -6.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -8.4475 -6.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9632 -5.4858 -6.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -6.2766 -5.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8571 -6.7117 -7.5095 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 1 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 21 45 1 0 45 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 1 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 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 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 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 67171 1 0 M END