HMDB0044592 RDKit 3D TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -0.4935 21.6668 9.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 20.6184 9.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 19.5031 10.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 18.2744 9.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 17.8932 8.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9656 16.8383 8.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 15.6215 7.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 15.2053 7.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 14.1139 8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 12.9438 7.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 12.6198 6.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3852 11.3473 6.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 10.2277 5.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 10.2023 5.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 9.3671 5.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 8.3865 5.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 7.9333 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 6.4149 3.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 5.8913 2.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 4.3745 2.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 3.8744 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3011 2.4195 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 1.9737 0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 1.4362 1.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 0.0648 1.5036 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7657 -0.8601 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 -0.8041 0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 -1.1455 -1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -1.4687 -1.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -1.1042 -2.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.9132 -3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 -1.9951 -4.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 -2.9074 -5.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -3.1795 -6.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -1.9968 -7.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -2.4557 -8.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 -3.5475 -9.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -4.0073 -10.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2929 -2.9283 -11.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 -2.9822 -13.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 -4.1357 -13.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 -3.8505 -14.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 -2.8117 -15.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3863 -3.2255 -16.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -2.1081 -17.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -2.4262 -18.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 -0.3656 2.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0489 -1.6863 2.6551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7622 -2.3634 3.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 -1.6839 4.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 -3.7120 3.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 -4.7476 4.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 -6.0667 3.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -7.2732 4.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -7.4820 3.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4422 -8.7411 4.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -9.9584 4.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 -11.2071 4.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -12.3574 4.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 -13.7002 4.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 -14.0839 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7318 -14.1071 2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 -14.5111 1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -13.6095 2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9779 -14.1178 1.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 21.2212 9.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 21.8932 10.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6493 22.5434 9.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 21.1123 9.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 20.4770 8.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 19.7429 11.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 17.5065 10.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 18.7383 7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 17.6034 8.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 17.1299 8.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 14.9327 7.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 14.9458 6.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 16.0670 7.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 14.2613 9.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 12.1615 8.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 12.4869 6.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 13.3077 5.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 11.4382 6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 9.3512 5.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 11.1711 4.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 9.7253 4.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 9.6065 6.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 7.8854 6.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 8.0230 3.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 8.3746 3.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4518 5.8368 4.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 6.2797 4.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 6.3245 2.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 6.2623 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 4.0793 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 3.9727 3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 4.4128 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 4.2000 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6509 -0.0451 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 -1.9088 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0766 -0.9758 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 -0.0628 -2.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -1.5823 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -1.3243 -3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 -2.8691 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 -1.0089 -5.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -2.4649 -4.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -3.8475 -5.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 -2.4043 -5.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -3.7391 -6.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -3.8608 -7.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -1.5770 -8.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -1.2120 -7.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6273 -2.8092 -8.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 -1.5981 -9.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 -3.2502 -10.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 -4.4557 -9.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -4.9160 -11.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 -4.3744 -10.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -1.9932 -11.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -2.0918 -13.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -4.4962 -14.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 -5.0091 -13.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -4.8100 -15.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -3.5497 -13.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 -2.7088 -16.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 -1.8257 -15.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -4.1531 -17.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -3.2525 -16.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -2.0406 -18.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 -1.1309 -17.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5133 -2.3153 -18.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -1.7989 -19.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3648 -3.4816 -19.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -0.2968 3.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 0.2970 2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -3.8013 4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -4.0242 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -4.5313 5.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 -4.7314 3.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 -5.9206 4.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 -6.1422 2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 -7.3086 5.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -8.1638 4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 -6.6113 4.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 -7.5582 2.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 -8.6433 5.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -8.7784 3.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 -10.0305 3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -9.8570 4.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -11.1629 5.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -11.2537 4.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -12.3589 3.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 -12.1608 4.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 -13.7888 5.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -14.4547 4.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 -15.1464 4.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -13.5107 4.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -13.0656 2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5791 -14.7063 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -14.5786 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8256 -15.5338 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 -12.5687 2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -13.6079 3.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 -14.1185 2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8022 -15.1987 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1834 -13.5144 0.7164 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 1 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 1 0 38 39 1 0 39 40 2 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 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 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 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 65167 1 0 M END