HMDB0050788 RDKit 3D TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -0.6052 -1.7943 -2.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -2.8387 -2.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 -3.6980 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -3.8324 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 -3.0783 -1.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 -4.0331 -2.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 -4.1026 -1.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -3.1687 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1078 -2.5224 -1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 -2.7254 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5351 -3.5587 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2763 -2.8461 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 -2.5619 2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 -2.8732 3.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 -3.8324 4.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -4.0663 5.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0821 -4.3842 4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 -3.2285 3.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -3.4974 3.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -2.2100 2.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 -2.2544 1.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -1.0193 3.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 0.2731 2.8932 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4565 1.1734 2.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 2.4406 2.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7622 2.7617 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.8567 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 4.1913 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 4.2529 -0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 5.6949 -1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 6.0597 -2.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0825 5.4607 -3.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 4.7132 -4.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 4.4040 -4.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 4.9444 -6.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 4.3047 -7.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 2.8371 -7.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 2.2914 -8.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 1.5103 -8.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 1.0329 -6.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 1.5442 -6.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 0.8045 -6.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.6613 -6.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 -1.2038 -7.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.7294 4.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 1.9385 3.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 2.4087 2.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 1.6332 2.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 3.7962 3.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 3.7937 3.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 2.9189 3.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 2.7944 4.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0719 2.2121 5.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 1.9994 6.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 0.9558 5.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8808 1.0344 4.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9176 -0.1078 4.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2611 -1.4144 4.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2556 -2.2461 3.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9141 -1.9491 2.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8212 -1.8857 1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4303 -1.5572 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -1.4244 -1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 -0.3400 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0278 0.9956 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 1.5407 -1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 1.7396 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 -1.8745 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 -1.8070 -2.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 -0.8018 -2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -3.3873 -3.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 -2.3220 -3.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -4.2552 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -4.4816 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4392 -2.5777 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 -2.2595 -2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 -4.7779 -2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -4.8810 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -3.6238 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -2.3104 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9765 -1.9002 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1613 -2.2421 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3118 -4.3755 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 -4.1841 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3362 -2.5273 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 -2.0247 3.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -1.9152 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9887 -3.4010 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0348 -4.8115 3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4115 -3.4577 4.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3361 -3.1576 5.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7077 -4.8701 5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 -5.3121 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.6599 5.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 -2.8553 2.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -2.3318 4.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -3.7742 4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0209 -4.3051 2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 0.2148 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8115 1.1802 3.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 0.7003 2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 4.8658 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 4.4290 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 3.9794 -1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 3.5838 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 6.3173 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 6.0458 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 6.1778 -2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 7.1809 -2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 5.6225 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 4.2983 -4.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 4.7660 -4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 3.2846 -4.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 6.0495 -6.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.8426 -8.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 2.5954 -7.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 2.3020 -6.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 2.5666 -9.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.1756 -8.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 1.5052 -5.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 -0.0426 -6.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4948 2.6311 -6.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 1.2452 -5.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 -0.9522 -5.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 -1.1004 -6.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -2.2781 -7.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0078 -0.6499 -8.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2933 -1.1475 -6.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6642 -0.1353 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 0.7582 4.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 4.1307 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 4.4971 3.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 4.8610 3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 3.6103 5.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 1.8961 3.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 3.3253 2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6553 3.8815 4.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0852 2.3759 3.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 2.9145 6.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 1.2089 5.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 1.8066 7.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 2.9722 6.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0487 0.9118 6.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7124 -0.0801 5.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 0.6616 3.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3588 1.9488 4.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5324 0.0558 3.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6330 -0.0306 5.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7551 -1.6773 5.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7296 -3.2245 3.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5449 -1.0815 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4886 -2.8942 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1361 -1.0538 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2452 -2.8071 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0131 -0.6045 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1953 -2.3212 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8306 -1.1708 -2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 -2.3658 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 -0.6435 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6129 -0.2952 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1968 1.7102 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7048 0.9285 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2483 2.4982 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6297 0.8449 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9919 0.8531 -3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8526 1.9746 -2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2557 2.6800 -3.6691 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 23 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 2 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 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 56146 1 0 57147 1 0 57148 1 0 58149 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 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END