HMDB0045274 RDKit 3D TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -1.4631 -7.5684 1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 -7.1064 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 -7.2264 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 -6.7753 -2.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -5.3306 -2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -4.3550 -1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -3.4185 -2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.2598 -4.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3081 -3.3361 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.3333 -5.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 -1.1208 -5.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -0.9790 -7.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 0.0328 -7.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 1.2653 -7.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.5300 -8.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 1.7169 -8.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.7118 -7.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 3.1105 -7.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 3.9552 -6.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 3.6524 -5.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 3.8323 -3.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 3.4754 -2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 2.9238 -2.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 3.7293 -1.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 3.3565 -0.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3316 4.6436 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 4.4401 1.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 5.5282 2.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 6.6691 1.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6663 5.4038 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 4.0283 4.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 3.9004 5.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 2.6265 6.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 2.1808 6.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 2.0150 6.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.4061 6.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 1.2810 6.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 0.1871 5.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -1.1288 6.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 -1.7135 7.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6554 -2.8359 6.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 -3.6127 5.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7115 -4.9699 5.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 -5.8299 4.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7238 -7.1493 5.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 -7.8890 6.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 2.4925 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9754 1.8889 1.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9664 0.9733 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 0.7259 0.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.2469 2.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -0.7444 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -1.5322 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -2.5559 2.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 -1.9191 1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 -1.1115 2.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4698 -0.4710 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0263 0.5928 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3626 1.6974 1.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 2.8491 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 2.4531 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 3.6827 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 4.3530 -1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 3.4532 -2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 3.0176 -3.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 4.2172 -4.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 3.7994 -5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5897 -6.7675 2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -8.4774 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 -7.8533 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1835 -6.0251 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 -7.7220 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 -6.7503 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -8.3288 -0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -7.3759 -2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -6.9729 -2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -5.2724 -1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -5.1891 -3.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 -4.3773 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -2.7083 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 -2.3587 -4.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -4.1531 -4.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9142 -4.2421 -4.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -2.3907 -6.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -0.8969 -4.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 -0.2699 -5.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -1.8993 -7.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5571 -0.0814 -8.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 2.1198 -7.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.3813 -6.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 1.5612 -9.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 1.9067 -9.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 1.3743 -6.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 0.9862 -7.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 3.4474 -7.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 4.9592 -6.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 4.3078 -5.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 2.6209 -5.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 3.2836 -3.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 4.9167 -3.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 2.8337 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 5.3125 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 5.1905 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 5.5144 3.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 6.1515 4.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 3.2532 3.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 3.7532 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 4.0081 5.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 4.7989 6.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4977 1.7876 5.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 2.5688 7.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 2.9036 7.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 1.2087 7.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 1.3710 5.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 3.0122 5.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 0.5245 7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 2.2010 7.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 2.2170 5.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 0.2409 5.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 -0.9652 7.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -1.7721 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -1.1413 7.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5025 -3.2254 7.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 -3.1491 4.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 -3.8670 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 -4.8461 6.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6477 -5.4889 6.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 -6.0340 4.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -5.3765 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -7.7929 4.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -6.9831 6.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -7.8366 7.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8096 -7.4563 5.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8367 -8.9687 5.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 3.1129 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0618 1.6794 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -0.1875 3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4246 0.9976 3.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.0982 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.4324 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 -0.8606 3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 -2.1320 3.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 -3.3043 3.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -3.1324 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -2.7581 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -1.3061 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 -0.4334 3.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 -1.8717 3.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9915 -1.2469 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2296 -0.0189 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 0.1852 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9446 1.0027 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4978 1.3042 2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 2.0817 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8413 3.2675 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 3.6739 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0176 1.9950 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 1.6704 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 4.4251 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 3.5013 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 4.6922 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2989 5.2752 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1653 3.9251 -3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 2.5188 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 2.4013 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 2.4446 -4.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 4.9278 -3.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 4.7734 -4.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 4.5719 -5.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 3.6767 -6.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 2.8031 -5.3356 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 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 2 0 28 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 25 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 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 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 6 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 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