HMDB0046091 RDKit 3D TG(20:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) 181180 0 0 0 0 0 0 0 0999 V2000 4.2982 8.4986 -7.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 9.0337 -6.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 10.2746 -6.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 10.4336 -6.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 9.3296 -6.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 9.7225 -4.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1216 9.0926 -3.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 7.8828 -3.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1824 6.7309 -3.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 6.1002 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 6.4091 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 5.2039 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 4.7696 -1.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4803 3.6085 -1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 2.4086 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 1.2557 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 0.0868 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 0.3555 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 1.4076 1.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -0.4846 1.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.1107 2.7555 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5164 -1.1995 3.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -2.3581 3.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -3.4787 4.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 -3.3070 5.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0623 -4.6661 3.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 -5.8483 3.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 -6.5913 4.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -6.0242 4.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 -5.6000 3.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 -4.5792 2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8651 -4.2709 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 -3.6883 2.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 -3.4183 1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2560 -2.7181 2.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 -1.2784 2.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 -0.8486 3.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 -0.2945 4.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 0.0049 5.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 1.4991 5.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 1.9892 6.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 1.2167 8.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7573 1.5732 8.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 1.1838 7.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 1.4923 7.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 1.0943 6.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 0.1529 2.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 1.1869 1.4088 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2266 1.5841 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 0.9708 1.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3931 2.6186 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 1.9927 -1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 0.8377 -1.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 0.1902 -3.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 1.1954 -4.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 0.5977 -5.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 1.4999 -6.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6623 1.9385 -6.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7591 0.9903 -6.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0759 -0.0982 -5.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5307 0.4257 -4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8621 -0.5769 -3.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7751 -1.4633 -2.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2966 -2.4653 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1938 -3.3487 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4941 -4.3731 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4151 -5.4629 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 -5.1786 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5564 -4.4186 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 8.1351 -8.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 7.6751 -7.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 9.2929 -7.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9692 8.2417 -5.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3424 9.3170 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 11.1415 -6.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 11.4082 -6.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 8.3516 -6.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 9.2705 -6.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7915 10.6371 -4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 9.4999 -2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 8.0030 -2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 7.5760 -4.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 6.4182 -3.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 5.2629 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 7.3235 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 6.5280 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 4.4363 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 5.5452 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 4.6105 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 5.6215 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 3.2812 -2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 3.9374 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 2.7058 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 2.1230 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 0.9859 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2453 1.5847 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 -0.2050 -1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -0.8258 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 0.8365 3.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -0.7968 4.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 -1.4844 3.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 -4.3776 3.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -5.0167 4.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 -6.6289 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 -5.7325 2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -7.5316 3.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -7.0227 4.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -5.2392 5.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -6.8764 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -6.5331 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -5.1702 4.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -3.6283 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -4.9593 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -3.5211 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -5.1787 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -2.9954 3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -4.6097 3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -2.8002 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 -4.4062 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -2.8169 1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -3.2800 3.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 -0.6755 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8924 -0.8891 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -0.9449 2.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 -0.0309 4.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -0.5576 6.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7404 -0.1804 5.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 2.1189 4.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3769 3.0817 7.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 1.5315 8.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 0.1477 8.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5091 0.9342 9.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 2.6473 8.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 1.8332 6.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 0.1100 7.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 2.5904 8.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 0.8787 8.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 0.3312 6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 0.6450 7.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 2.0005 6.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 0.6100 3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 -0.7675 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 3.1607 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 3.3498 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 1.6254 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 2.7886 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2283 1.1415 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 0.0688 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 -0.1033 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 -0.7420 -3.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 1.4917 -3.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 2.0290 -4.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5964 0.4535 -5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 -0.4141 -5.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 1.0802 -7.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 2.4359 -6.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 2.7102 -7.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8481 2.6239 -5.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5949 0.5522 -7.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6943 1.6464 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9638 -0.6557 -6.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2636 -0.8240 -5.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 1.2408 -4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5255 0.9528 -4.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 -1.2315 -3.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2868 -0.0416 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9436 -0.9716 -2.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3639 -2.0831 -3.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2354 -2.8785 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5143 -1.7763 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3217 -2.7264 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7161 -3.8028 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8364 -3.8093 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4781 -4.8019 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9111 -6.1237 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4368 -6.1618 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3256 -6.2323 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0195 -4.9070 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2122 -4.8314 0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6439 -4.6783 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4342 -3.3346 -0.1463 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 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 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 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 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 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 1 22100 1 0 22101 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 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 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 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END