HMDB0044511 RDKit 3D TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -2.9805 -3.9403 3.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 -3.8173 3.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 -4.1861 4.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 -5.1663 4.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 -6.0736 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 -5.8865 3.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -5.4555 2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -5.1132 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -3.6957 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -3.3038 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 -4.1368 -1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -3.8040 -2.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -4.6316 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 -6.0552 -3.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 -6.5203 -2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -6.0155 -1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -4.5790 -1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -3.9748 -2.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 -4.5547 -3.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 -2.7062 -2.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -1.9682 -3.5868 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6784 -0.5912 -3.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 -0.5875 -4.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 0.6279 -4.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 1.6715 -3.9478 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 0.7503 -4.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 0.6631 -3.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 0.8078 -4.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 0.6989 -3.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0923 1.4872 -2.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4896 2.7868 -3.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 3.4076 -4.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1973 4.5657 -4.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 5.5555 -3.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 5.8352 -2.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 5.7498 -1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9202 5.3910 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 4.2256 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 2.9613 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 1.7683 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 1.2008 1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.6837 1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 1.5784 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 2.6520 2.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7392 -1.7787 -3.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 -1.1121 -1.9042 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9307 -0.7862 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9928 -1.0904 -1.8858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9876 -0.0889 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 0.1796 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5488 0.8551 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1703 0.1805 2.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -0.2633 3.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 0.8120 3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0501 1.8566 4.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 2.9800 4.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 2.4121 4.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 3.4720 4.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4339 4.2129 3.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 5.2328 3.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 6.4067 4.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 6.2676 5.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 5.4888 6.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3642 -3.0175 3.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -4.0802 2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -4.7854 4.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -4.4172 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -2.7459 2.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -3.5832 5.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 -5.3199 5.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 -7.1217 3.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1367 -5.9522 2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -6.1375 4.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 -5.3254 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -5.3222 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -5.7659 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -2.9708 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.1823 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -5.1641 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -3.6998 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 -2.7455 -3.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 -4.2486 -4.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9141 -6.4448 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -6.5679 -4.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 -7.6618 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 -6.4528 -3.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -6.3325 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 -6.5715 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 -4.4896 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 -3.9062 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -2.5238 -4.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 0.0702 -4.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 -0.0949 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 1.7572 -5.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 0.0350 -5.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.5301 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -0.2590 -2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -0.0077 -4.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 1.7440 -4.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 -0.2811 -2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 1.0832 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 3.4963 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 2.7508 -3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7698 2.8834 -5.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6833 4.8850 -5.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 5.2075 -2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 6.5037 -3.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 6.1331 -3.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 5.9878 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 6.3139 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 5.2867 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 4.5563 0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 4.1031 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 2.8149 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 3.1908 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 0.9423 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6425 1.9364 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 1.8641 2.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 0.3139 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -0.1313 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 0.1478 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 0.9258 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 1.9839 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 2.4548 2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 2.7443 2.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 3.6394 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2532 -2.7460 -3.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 -1.1664 -3.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3577 -0.6760 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5121 0.9130 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9833 -0.7986 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8265 0.8430 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9925 1.8618 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6282 1.2460 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4974 0.8167 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 -0.7359 3.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 -0.5419 4.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4898 -1.2093 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7677 0.3107 3.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 1.2998 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0837 2.2558 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1401 1.3862 5.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0133 3.4514 3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 3.6811 5.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.8873 5.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 1.6905 3.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 4.0657 5.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 2.8788 4.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 3.4419 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 4.6599 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 4.7038 3.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2795 5.6220 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 7.1114 4.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 7.0323 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3106 7.3544 6.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 6.1019 6.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 5.3885 5.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 5.9569 7.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 4.4779 6.7237 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 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 1 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 6 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 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 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END