HMDB0042169 RDKit 3D TG(14:0/18:0/20:3n6) 161160 0 0 0 0 0 0 0 0999 V2000 -5.0614 -11.2141 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 -10.4030 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7699 -8.9370 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9877 -8.2198 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -8.5485 -1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -7.7250 -2.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0872 -6.8843 -3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5282 -6.6339 -3.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 -7.0127 -4.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7086 -6.1878 -5.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8883 -4.7484 -4.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 -4.3477 -4.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8025 -3.7540 -3.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0269 -3.4409 -2.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -1.9025 -2.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1754 -1.5371 -1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1597 -0.0123 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 0.3603 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0544 1.8486 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0857 2.2294 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 1.4741 2.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 3.2484 1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4516 4.2087 1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 3.9561 1.6949 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5451 2.8410 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 1.6395 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 0.3980 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 0.3734 -0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.7726 1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -2.0985 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 -2.5180 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 -1.7145 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -2.3395 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 -1.7577 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -0.3674 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 0.7616 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.7299 -1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 1.8940 -1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 1.7666 -3.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 2.8389 -4.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 2.9349 -3.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 3.4065 2.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 3.9416 3.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 4.9742 3.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 3.3312 5.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 4.0801 5.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 4.3126 5.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 3.0385 5.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 3.4700 4.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 2.3717 4.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 1.3980 3.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8552 0.3552 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2168 0.9044 3.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.6225 2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7717 2.1685 2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4013 2.8291 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8591 4.0108 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 3.7749 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2313 5.1297 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9419 4.9971 -1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 4.6310 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6145 -12.1424 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -11.6017 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7552 -10.6760 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5919 -10.6954 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2459 -10.7796 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8811 -8.7006 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -8.4679 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 -7.1093 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -8.4439 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 -9.6132 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3959 -8.5339 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -7.8690 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -6.3274 -3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 -5.5191 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1011 -7.1627 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -8.0691 -4.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -6.5548 -6.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1958 -4.2775 -4.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 -4.2749 -5.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8986 -4.5882 -5.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8707 -3.4827 -3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -3.8282 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 -3.7407 -2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6559 -1.4012 -3.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0675 -1.5723 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 -1.8018 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4371 -2.0461 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1616 0.3863 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7245 0.4112 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1852 -0.0310 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5633 -0.1202 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0627 2.2925 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8005 2.3205 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 5.0128 2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 4.8491 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 4.8386 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 3.0654 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4608 2.8267 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1846 -0.6999 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -0.6918 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -2.1744 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 -2.8930 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -3.5957 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 -2.6081 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -0.7360 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -1.6762 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 -2.3515 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 -3.4405 0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -2.3822 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -1.9876 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -0.2476 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -0.1880 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 1.6963 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 0.9639 0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -0.2589 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 0.7253 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 1.9937 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 2.7929 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 0.7423 -3.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.8329 -3.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 3.8265 -3.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 2.6283 -5.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 3.5263 -2.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 3.5206 -4.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 1.9722 -3.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 2.3154 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 3.0724 5.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 5.0949 6.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 3.6169 7.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 4.8552 6.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9492 4.9961 4.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 2.5202 6.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 2.4156 4.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 4.1452 5.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 4.1344 3.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 1.8003 5.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 2.8000 4.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 1.9371 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 0.9172 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8141 -0.1488 4.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.4248 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5177 1.5223 4.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9232 0.0297 3.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 2.3799 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 0.9126 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8763 2.8220 3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4463 1.2736 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4493 3.1694 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7524 2.0473 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 4.4779 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 4.8076 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 3.6050 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6631 3.0360 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0528 5.4139 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0818 5.8378 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 4.2148 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 5.9519 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 5.2905 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 3.5694 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 4.8266 -1.4517 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 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 1 0 27 28 2 0 27 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 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 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 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 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 61161 1 0 M END