HMDB0044467 RDKit 3D TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 9.0937 -2.5385 -6.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9683 -2.3811 -7.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 -0.9449 -8.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5307 -0.4164 -7.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -1.1912 -7.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 -0.9090 -8.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -0.3359 -8.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 0.0948 -6.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 1.5591 -6.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 2.0892 -6.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 1.3136 -5.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 1.6518 -6.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9701 2.2340 -6.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 2.5694 -4.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 1.9124 -3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0494 2.3478 -2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0504 1.9309 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5314 2.4077 -0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 2.9721 -0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 2.3206 0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 2.8658 2.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8636 2.8645 3.3568 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9761 3.5413 4.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 2.9760 4.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 2.6912 4.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 3.0728 3.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.9707 5.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 1.9917 4.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 1.1475 5.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 0.8784 5.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8324 0.2549 5.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 -1.0619 4.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 -0.9704 3.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 -0.3274 2.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -0.0357 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.0082 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 1.2160 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7335 2.3462 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 3.6399 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 4.7865 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 5.0913 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2749 1.6024 3.8743 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6106 1.4152 4.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3648 2.4132 4.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1304 0.1501 4.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -1.0402 4.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7893 -2.2231 5.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -3.0367 6.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 -2.9515 6.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 -1.8575 6.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -1.8133 6.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.9116 5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -4.2761 6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -5.2107 5.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 -5.0046 3.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -5.3043 2.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -4.4920 2.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 -3.1307 1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.6644 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 -3.2938 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6147 -4.6888 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -5.5711 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 -5.4290 -2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -4.1806 -2.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 -4.3433 -4.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 -1.8431 -6.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1156 -3.6032 -6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0627 -2.2298 -7.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4286 -2.7263 -8.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 -3.0429 -7.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5362 -0.3042 -8.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 0.6533 -7.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0825 -1.1136 -6.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -2.3236 -7.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 -1.2131 -9.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 -0.1671 -8.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 -0.0463 -6.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.5329 -6.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 2.2022 -7.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 3.2007 -6.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 1.5785 -4.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 0.2187 -5.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 1.4146 -7.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 2.4395 -6.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 2.4951 -4.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3008 3.7055 -4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 2.3450 -4.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 0.8351 -4.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 2.1214 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 3.4837 -2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 0.8220 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0241 2.4442 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 2.1856 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9247 3.8450 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7742 3.5541 3.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 4.6068 3.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 3.6412 5.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 0.9188 5.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 2.4600 6.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 1.8134 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 3.0609 4.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 1.6108 6.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 0.1909 5.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 0.3027 6.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 1.8596 6.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 0.0680 5.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1605 1.0344 4.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -1.6059 4.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 -1.6899 5.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 -2.0181 3.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -0.4383 3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 -1.0891 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 0.5354 2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0263 -0.9848 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 0.4002 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 0.7143 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 1.9071 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 0.2820 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.5590 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 2.3928 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 2.0780 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 3.8854 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 3.5347 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9228 5.7247 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 4.5810 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 4.2187 -1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 5.8139 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 5.5617 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2938 0.1785 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1283 -0.0557 4.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 -1.2123 3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 -0.7546 4.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -2.4960 4.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0714 -3.9160 6.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5042 -2.8167 7.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -3.9807 6.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 -0.8345 6.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -0.7678 6.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 -2.7651 6.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -2.6767 4.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 -4.6028 7.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -6.2216 5.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 -5.8601 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 -4.0666 3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 -6.3260 3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 -4.8700 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 -2.4065 2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -2.7952 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 -1.5456 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -2.6771 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -4.6860 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1939 -5.2611 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -5.7236 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -6.6320 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 -6.3193 -2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 -5.5964 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -3.8762 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -3.3392 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -4.8321 -4.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 -3.3441 -4.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 -4.9530 -3.8862 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 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 22 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 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 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END