HMDB0048280 RDKit 3D TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -0.7318 -1.6964 7.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -0.8427 6.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -1.7511 5.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.5854 4.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.4769 3.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 0.3379 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 0.5102 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 -0.0741 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 1.1323 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 1.3082 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 0.3737 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 -0.0728 -3.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2557 -1.3028 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -2.3921 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 -3.0396 -2.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 -4.0660 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -4.8245 -0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -4.0821 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -4.7658 0.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -2.7194 -0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5257 -2.0875 0.3035 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2516 -1.2875 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -0.2003 -1.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 0.6176 -2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 0.2633 -2.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 1.7806 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5697 1.5346 -3.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 0.8065 -5.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -0.6349 -5.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -1.1309 -6.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -0.5452 -7.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9301 -0.8735 -6.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 -0.6085 -5.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8766 -1.4949 -4.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0128 -2.9074 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 -3.7866 -4.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -3.7052 -2.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0728 -4.1758 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3556 -1.3421 1.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 -0.4154 1.5808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 0.4253 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 0.3983 3.6327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 1.3477 2.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 2.3327 3.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 3.1185 3.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 4.1357 4.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 4.8359 4.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 3.8212 5.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 4.4221 5.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2627 3.3180 5.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6881 3.7976 5.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4822 2.6373 6.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4899 2.1482 5.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9778 2.7196 4.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 1.7135 3.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7744 0.5223 3.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7613 -0.4463 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3641 -0.9652 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3113 -1.9512 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 -2.4942 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 -1.4382 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -1.0144 7.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -2.3855 7.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 -2.3207 6.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -0.0269 5.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4747 -0.5287 7.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8962 -2.6177 5.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -2.3203 3.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8384 0.0813 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.9374 2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 0.8051 3.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 1.1421 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.7030 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3062 -0.5668 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 1.8898 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 2.2005 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -0.4217 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 1.0479 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 0.7247 -4.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 -1.5489 -4.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.1867 -3.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 -2.1771 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 -2.1930 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -3.4526 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.7233 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -3.5275 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7178 -5.5454 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 -5.5309 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 -2.9447 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -0.9168 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -1.9320 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 2.3806 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 2.4235 -3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 2.5117 -4.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 0.9506 -3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 1.4022 -5.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 0.8273 -5.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 -1.1834 -4.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0613 -0.9381 -4.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6193 -2.2393 -6.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 -0.9500 -7.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 -0.8704 -8.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 0.5788 -7.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 -1.8846 -7.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 -0.1372 -7.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 0.4158 -5.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2036 -1.1533 -3.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 -3.2147 -4.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8048 -3.1485 -6.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1471 -4.8269 -4.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -3.4166 -4.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 -4.2465 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6204 -2.6376 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 -3.3634 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 -4.5967 -3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0617 -4.9657 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -2.1047 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -0.8046 1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 0.7655 2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 1.9425 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 1.8724 4.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 3.0768 3.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 3.6306 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 2.3505 3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 4.8969 4.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 3.6708 5.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 5.3962 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 5.5556 5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6138 3.3479 6.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 2.9990 4.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 5.1189 6.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 4.9703 4.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 2.8149 6.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 2.5348 4.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 4.5075 6.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 4.3133 4.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1975 2.1155 7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0087 1.2667 5.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0872 2.9000 4.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5733 3.6491 3.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3787 2.2470 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8835 1.4904 2.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8368 0.8541 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4653 -0.0389 4.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3681 -1.3387 2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2259 -0.0573 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0352 -1.4834 3.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7532 -0.1041 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0084 -2.8057 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6725 -1.3993 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9155 -3.2452 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5581 -3.0149 1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8674 -1.3425 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9586 -1.6816 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2135 -0.4378 0.7535 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 2 0 24 26 1 0 26 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 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 2 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 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M END