HMDB0045472 RDKit 3D TG(18:0/O-18:0/18:4(6Z,9Z,12Z,15Z)) 166165 0 0 0 0 0 0 0 0999 V2000 -1.3777 -4.6972 -7.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 -5.2308 -5.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -6.5037 -5.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 -6.7469 -5.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7974 -5.6844 -5.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 -5.4080 -6.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9774 -4.2265 -6.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2043 -2.9889 -6.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -1.9879 -5.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2275 -1.3990 -4.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2916 -1.5677 -3.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6869 -0.2214 -3.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 0.4208 -2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7686 -0.0143 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 -0.0484 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 -0.9031 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 -0.8207 1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -1.6198 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 -2.1743 1.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 -1.7430 3.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -2.4425 3.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 -1.7666 3.3788 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6020 -2.8810 3.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -2.6591 3.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -2.3764 1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 -2.2879 0.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4522 -2.1776 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -1.6201 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -1.4890 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4058 -0.9033 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 0.5147 -2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 1.0712 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 0.4303 -3.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 0.8202 -5.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 0.4535 -5.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.9240 -5.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -1.4415 -3.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -2.8616 -3.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 -3.3737 -2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -4.7484 -2.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8278 -5.2975 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 -6.6975 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7907 -6.6595 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 -0.6145 3.8172 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 0.5561 4.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 1.4986 3.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 2.8877 4.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 3.8076 4.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 5.2178 4.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 5.4001 6.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 5.3267 6.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7589 6.5648 5.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 6.7920 5.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 6.5605 7.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 5.0735 7.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2421 4.5552 6.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3874 3.0734 6.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 2.5632 5.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.9617 4.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3843 2.6747 3.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 1.2849 2.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 1.3636 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -3.7213 -6.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -5.5019 -7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 -4.5794 -7.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -4.4561 -5.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 -5.4398 -5.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -7.3257 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -7.7503 -5.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -4.8457 -4.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 -6.2337 -4.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4699 -6.2224 -6.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7656 -4.0953 -7.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 -3.0973 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8135 -2.6315 -7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9788 -1.7626 -6.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0683 -0.6680 -4.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7409 -1.9483 -2.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 -2.2621 -3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 0.2152 -4.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4395 1.4145 -2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3049 -0.9662 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 0.7594 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 1.0127 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8935 -0.4100 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -1.9554 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -0.6349 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 0.2202 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -1.2121 2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7314 -3.4188 3.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -2.6465 4.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -1.7490 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -3.1874 4.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 -3.7712 3.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 -1.5118 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 -3.1822 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 -2.3936 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -0.7009 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3534 -0.8211 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1972 -2.4736 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7657 -1.5808 -2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 -0.9808 -2.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 0.7831 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9466 1.1127 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 0.8866 -4.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 2.1450 -3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 0.6704 -2.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 -0.6789 -3.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 0.5197 -5.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 1.9602 -5.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 1.1940 -4.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 0.7317 -6.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.6610 -5.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4354 -1.0337 -5.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -1.3879 -3.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2571 -0.8047 -3.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 -2.7814 -4.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -3.5318 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -2.6861 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 -3.3319 -1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -5.4176 -2.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -4.7657 -2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -5.3483 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5402 -4.6875 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -7.3721 -1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5318 -7.1380 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 -7.2919 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -5.6415 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -7.0301 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 0.7607 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 1.1356 3.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 1.0982 4.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 1.6635 2.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 2.7356 5.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 3.2234 3.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 3.3570 4.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 3.8380 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 5.7505 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 5.6744 4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 6.4030 6.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 4.6640 7.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 5.2865 7.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 4.4789 5.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 7.4398 6.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2711 6.8247 4.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 7.9077 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 6.2883 4.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 7.0443 6.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 7.0303 7.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 4.4287 7.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 4.9852 8.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1908 5.0958 6.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 4.8648 5.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 2.6101 6.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 2.8099 7.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 2.9164 5.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 1.4397 5.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 4.0971 4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 2.6196 3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 3.2238 3.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 3.1619 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 0.6783 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 0.7795 3.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 1.6682 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 0.4450 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 2.2001 2.0596 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 41 42 1 0 42 43 1 0 22 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 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 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 43129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 62166 1 0 M END