HMDB0052407 RDKit 3D TG(18:2(9Z,12Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -11.4552 0.0571 1.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1407 0.6091 1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1463 0.8492 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3160 0.2334 -0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2862 -0.7626 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9718 -0.2562 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 -0.0348 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1351 -0.2711 1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1122 -1.2705 1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 -1.1475 2.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 -0.0321 3.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 1.1836 3.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0751 2.3530 3.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 2.6194 2.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 3.2855 1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 4.4630 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 5.1929 2.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 5.4625 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 6.1763 3.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 6.5207 3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 7.7263 3.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 5.5988 3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1684 5.7296 3.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 4.3093 3.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7146 3.8803 2.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 2.6505 2.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 2.0783 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 2.6952 -0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 0.8051 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2296 -0.3515 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9514 -1.6658 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -2.8040 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -2.6553 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -2.6659 -2.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -2.4690 -3.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 -2.5228 -4.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -3.3923 -5.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 -4.4242 -5.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -4.2354 -5.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -5.1237 -6.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -6.4511 -6.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 -7.5623 -6.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 -7.4647 -7.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 -8.5642 -6.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4249 -8.4639 -5.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 3.4395 4.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 2.6852 5.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 2.7531 5.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 1.7773 6.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 0.5198 5.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 0.8608 4.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 -0.3331 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 0.1770 2.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -0.8962 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -0.2578 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1358 0.7854 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 1.4537 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 0.5002 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 1.1812 -3.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 0.2575 -4.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4251 -0.2532 -3.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0189 -0.4571 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2670 -0.6159 2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0857 0.8789 2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0165 1.6351 1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3345 0.0171 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 1.5810 -0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3721 0.4636 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4521 -1.1297 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5129 -1.6666 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8054 -0.0560 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0611 0.3399 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1059 -0.7680 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0566 0.7194 1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 -2.2262 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -2.0783 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 0.1763 3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 -0.4806 4.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6109 1.1957 4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 3.2521 3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 3.1090 3.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.6628 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 2.7409 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 4.9034 0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 4.8959 3.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 6.2743 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 4.4611 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 6.0915 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 7.1234 3.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 5.5672 4.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 6.2382 4.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 6.2636 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 4.4096 4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 3.8601 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2103 4.6690 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 0.8619 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 0.5782 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -0.1742 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -0.3788 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6211 -1.6398 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5879 -1.8638 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -3.7405 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 -2.7801 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -1.7371 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.5158 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0487 -3.6402 -2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -1.8741 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -3.0568 -2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 -1.3867 -3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -1.7820 -5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 -3.3841 -6.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -4.4116 -4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -5.4326 -5.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -3.2579 -5.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 -4.9089 -7.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -6.5690 -8.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -6.6873 -6.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 -7.4884 -5.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7043 -8.5222 -6.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -7.5696 -8.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -6.4830 -7.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 -9.5431 -7.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9702 -8.3853 -7.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 -7.4169 -5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 -8.7715 -5.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 -9.1581 -4.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 1.4976 7.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 2.2481 6.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 -0.1312 6.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 -0.0687 5.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 1.5062 4.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 1.3954 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -0.8359 4.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -0.9889 3.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 0.7956 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 0.8099 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -1.2994 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 -1.7423 1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -1.0153 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 0.3087 -0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 1.6146 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 0.4480 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 2.0213 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 2.1996 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.0270 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.2746 -2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1117 2.0745 -3.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 1.5646 -3.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -0.5860 -4.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.8223 -5.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1639 -0.6249 -4.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 0.5957 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 -1.0111 -2.9571 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 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 2 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 24 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 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 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 45126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M END