HMDB0047997 RDKit 3D TG(14:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -6.2755 -0.4777 -3.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3808 0.6683 -4.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3512 0.3717 -5.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3736 1.2008 -5.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 2.5105 -4.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 2.5778 -4.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 3.4080 -4.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 4.3363 -5.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 3.9763 -6.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 4.7516 -7.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0662 6.1637 -6.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 6.2963 -6.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 6.6812 -5.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 7.0154 -4.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 6.2833 -2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 6.7423 -1.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 8.1526 -1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 8.6813 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 8.5731 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 9.0203 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 8.1361 -2.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 6.8108 -2.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 6.7510 -1.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 5.5523 -2.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 4.4336 -2.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1758 3.0798 -2.5458 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6995 2.6473 -3.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 1.2812 -4.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 0.3337 -3.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 0.7231 -2.3788 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -1.1247 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6787 -1.9218 -2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0674 -1.7454 -2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3481 -2.6785 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 -2.4715 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3934 -1.0892 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -1.0915 1.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 0.2365 2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 0.4704 3.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -0.5212 4.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 -0.5647 5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8286 -1.5761 6.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 -1.6337 8.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 2.8569 -2.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 2.0415 -1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3092 1.5466 -0.5572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 1.7524 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 1.0268 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 0.6545 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 -0.2952 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 -0.7730 0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 -1.7936 1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.8245 2.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 -2.2858 2.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 -3.8006 2.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -4.5236 3.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8114 -5.3279 3.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5828 -5.5964 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 -5.2525 2.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 -5.9367 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -5.9263 4.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 -6.6273 5.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7481 -6.6170 6.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6205 -5.2632 7.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8305 -4.3834 7.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6325 -1.4199 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -0.2667 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2247 -0.6295 -2.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2927 1.5712 -3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 0.5257 -4.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4069 -0.5992 -5.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 0.8693 -6.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 2.6337 -4.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4032 3.3005 -5.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 1.8901 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9044 3.4478 -4.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 5.3543 -5.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 4.3315 -6.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 2.9364 -7.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 4.4561 -8.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 6.6219 -6.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 6.7259 -7.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 6.0478 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 6.7520 -4.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 8.1280 -3.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 6.9899 -4.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 5.1642 -2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 6.0189 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 8.7513 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 8.5014 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 8.3961 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 9.8188 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 7.5043 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 9.1441 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8547 8.8300 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 10.0781 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 8.2872 -3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 8.5613 -3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 4.5878 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.5419 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7269 2.4089 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 3.1509 -4.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 3.0639 -4.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -1.3680 -3.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -1.3880 -4.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5523 -3.0185 -2.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 -1.8212 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -2.1442 -2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -0.7469 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 -3.7272 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3713 -2.5042 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -2.7705 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7004 -3.1862 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.3804 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 -0.7979 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 -1.9090 2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3232 -1.3139 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 1.0847 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 1.5255 4.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -0.1673 5.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -1.5487 4.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -0.8997 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 0.4092 6.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -1.3747 7.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -2.6145 6.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 -0.7597 7.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 -2.5630 7.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 -1.5961 9.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 2.6531 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 1.0497 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 1.7460 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6818 0.1678 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 1.6510 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 0.3737 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4445 -1.1760 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.2194 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9734 0.1500 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -1.1252 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5937 -1.8814 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 -2.8193 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7271 -0.8332 3.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -2.5125 3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -1.7526 1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 -2.1279 3.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 -3.9893 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -3.8949 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 -4.3808 4.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -5.7830 4.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -6.7278 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -5.1701 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -4.1402 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3816 -5.3953 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 -7.0048 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0038 -5.4722 2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6929 -4.9443 5.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -6.6497 4.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9953 -7.7153 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9501 -6.1825 5.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 -7.2788 7.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6318 -7.1395 7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4022 -5.4162 8.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -4.6880 7.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -3.3748 7.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0411 -4.3248 6.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6898 -4.7983 7.8630 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 1 0 29 30 2 0 29 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 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 2 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 0 25100 1 0 26101 1 1 27102 1 0 27103 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 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 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 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END