HMDB0042351 RDKit 3D TG(14:0/18:1(11Z)/22:2(13Z,16Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -1.5793 -8.3574 -4.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0655 -8.5568 -4.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 -7.3899 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 -6.0833 -4.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -5.0515 -3.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 -3.7095 -3.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9111 -2.6316 -3.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -2.6034 -1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1574 -1.7424 -1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7047 -2.1978 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 -3.5591 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0593 -3.5684 1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7995 -2.9298 2.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 -3.3545 1.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -2.6335 2.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -1.1866 2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -0.3979 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -0.7894 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 -0.0902 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 1.3820 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 1.8356 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 1.4032 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 1.2020 0.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7327 1.1577 -1.4982 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0604 0.6931 -1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 -0.8036 -1.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5954 -1.5797 -2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3909 -1.2777 -3.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -0.3319 -3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.4507 -4.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 -0.1609 -4.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 0.8812 -5.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 1.1662 -6.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 1.7209 -4.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 2.9984 -4.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 3.5095 -3.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5163 4.7720 -2.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 5.2901 -1.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 6.5366 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 7.6699 -1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 8.1212 -2.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 8.5963 -1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 9.0374 -2.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -1.0537 -0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 -1.6107 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4735 -1.8607 0.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7466 -1.9098 2.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 -1.8972 2.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -2.1293 3.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 -1.0942 4.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -1.3684 5.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -0.3717 6.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -0.7085 8.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -0.5909 8.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 0.8390 7.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5822 0.8014 7.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 1.1837 6.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 1.6608 5.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 3.0460 4.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0845 3.4639 4.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 3.3393 5.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 3.9566 4.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6711 3.7801 5.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 -7.4390 -4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0869 -9.2682 -4.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -8.2143 -3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 -8.6315 -5.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 -9.4970 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8689 -7.5892 -3.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4671 -7.2329 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -5.8206 -4.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0099 -6.2180 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 -5.1152 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4211 -5.4346 -3.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7783 -3.5508 -4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9819 -1.6685 -3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 -3.5604 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 -2.0064 -2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3366 -0.6913 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3269 -1.4974 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6676 -3.9277 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -4.3067 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -3.1842 2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9758 -4.6574 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -1.8053 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 -2.9497 3.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -3.2225 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -4.4429 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 -3.0663 3.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -3.0231 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -0.8243 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 -0.8159 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 -0.4624 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 0.6776 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -0.4750 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -1.8660 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -0.2782 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3425 -0.5543 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 1.9374 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 1.7417 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 2.9542 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 1.4447 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 0.9445 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 1.1917 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 -1.1103 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 -1.6474 -3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -2.6907 -2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 0.1695 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -1.1409 -4.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 1.7923 -5.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1846 0.4519 -6.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.1713 -6.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 1.7823 -6.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.9558 -4.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6472 1.9637 -5.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 3.7870 -5.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 2.8769 -4.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 2.7563 -2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0201 3.8448 -3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 5.5105 -3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 4.4410 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 5.5282 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 4.5249 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 6.2968 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 6.8470 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 7.3934 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 8.5438 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 8.8946 -3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 7.2421 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 9.5117 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 7.8690 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 10.1267 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 8.7703 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 8.5213 -3.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 -1.2337 2.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 -2.9470 2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -2.7828 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.0285 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -2.2120 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9435 -3.1064 3.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -0.0636 4.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 -1.1737 4.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 -2.3996 6.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -1.2600 5.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 0.6479 6.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 -0.4763 7.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -0.0303 9.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -1.7385 8.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -0.8071 9.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -1.3297 7.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.4759 8.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 1.2978 6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 0.4541 8.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 1.0800 6.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6821 0.9733 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 1.5892 5.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 3.3617 4.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 3.7323 5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 3.0151 3.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 4.5859 4.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 2.2943 5.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 3.8629 6.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 3.4289 3.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 5.0383 4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6441 3.7787 4.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 4.5473 6.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5145 2.7916 5.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 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 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END