HMDB0050446 RDKit 3D TG(20:1(11Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 155154 0 0 0 0 0 0 0 0999 V2000 9.5780 0.1801 4.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9534 -1.0529 3.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2312 -0.8084 2.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3336 -0.7330 1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9096 -0.8546 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 -1.1681 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 -0.4135 3.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 0.9385 2.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 1.8786 4.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 2.8794 3.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7773 3.2557 2.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3298 4.6583 2.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7595 5.0382 1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 4.1866 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 4.2072 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 3.4794 -1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 3.5090 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 2.9566 -2.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 2.6303 -3.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0281 2.8075 -2.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8226 2.3618 -3.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 2.3135 -2.9053 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2073 1.2992 -1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1837 1.5254 -0.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4179 0.5968 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7727 -0.4802 0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3765 0.9290 1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6216 -0.2095 2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.2792 3.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 1.2975 4.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 0.6332 4.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 1.5161 4.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 0.6767 4.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 0.0500 3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -0.7335 2.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 -1.3900 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 -1.1826 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -0.2862 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 -1.1887 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3051 -0.3488 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 -1.1826 -1.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5179 -0.3572 -2.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -1.2775 -3.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7156 -0.5011 -3.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4459 0.2970 -2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 2.1179 -3.8215 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 3.0655 -4.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 4.1429 -3.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2863 2.8323 -5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4534 2.2308 -4.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0141 3.1120 -3.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1914 2.4571 -2.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8213 1.1702 -1.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0265 0.5330 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6132 -0.7663 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7583 -1.3823 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1999 -2.5688 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5997 -3.3966 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1183 -4.6862 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0889 -4.4062 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6356 -5.7081 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 -0.0856 5.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 0.4641 4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8551 1.0113 4.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 -1.9035 4.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 -1.0468 4.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 -0.6768 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 -0.5297 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -1.7416 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.0242 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2996 -2.1674 3.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 -0.7723 4.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 1.2311 2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 0.9261 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 1.6519 5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 3.4836 4.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8537 3.3921 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7058 2.5693 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 5.4334 3.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 6.1104 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 4.6820 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 3.1924 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4027 3.7780 0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 5.2761 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 2.5073 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 4.1108 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 4.5536 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 2.9904 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 1.3525 -3.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 3.1044 -4.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 3.3417 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 0.2541 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 1.4276 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0729 1.8211 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3738 1.2256 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4979 -0.8006 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8642 -0.9576 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 -0.5387 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1604 0.7995 3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 2.2605 3.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 1.3670 5.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 -0.2762 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6784 0.2936 3.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 2.3711 3.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8028 1.9369 5.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 1.3840 4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -0.0268 5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 0.7367 2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -0.7881 3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 0.0048 2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 -1.5175 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 -2.1186 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 -1.7664 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 0.2403 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 0.3769 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -1.8170 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -1.7802 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 0.3373 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 0.2816 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9759 -1.7698 -2.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 -1.9085 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1112 0.2723 -3.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 0.3168 -1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8933 -1.9901 -2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0607 -1.7967 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4445 -1.2845 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4175 0.0659 -4.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3748 -0.2084 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 1.3203 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 0.4440 -2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 2.0931 -5.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5608 3.8008 -5.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2363 1.8803 -5.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 1.2935 -3.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 4.0622 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2019 3.3523 -2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0557 2.3432 -3.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5201 3.1707 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0471 1.3182 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4571 0.4668 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8784 0.4195 -1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3198 1.2267 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9251 -0.4222 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9863 -1.3895 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2932 -0.8369 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0666 -2.9872 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4594 -3.7319 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8815 -2.9528 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 -5.3965 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -5.1986 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2229 -3.8443 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5494 -3.8015 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 -5.6189 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2829 -5.9983 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6665 -6.5609 0.3568 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 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 2 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 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 1 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M END