HMDB0052692 RDKit 3D TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 163162 0 0 0 0 0 0 0 0999 V2000 2.9377 4.3772 4.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 3.4774 5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 3.3111 6.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 2.1842 7.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 0.8905 6.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 0.2102 7.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -0.9528 7.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -1.7385 7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 -3.0422 7.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -3.4803 6.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -2.7399 5.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 -3.5264 5.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -4.0593 4.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -3.9337 3.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 -3.2800 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6679 -2.6326 2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3642 -2.3899 3.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 -0.8614 4.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3525 -0.3258 2.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5843 1.1619 3.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7178 1.6538 2.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6073 2.0384 3.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 3.4331 3.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7635 4.0689 2.1348 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2549 5.5181 2.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6927 5.8186 0.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 5.2300 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 4.4418 1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 5.3778 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 4.6204 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 4.7189 -2.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 3.9098 -1.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5384 3.8111 -2.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 5.0770 -3.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 4.7685 -4.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 3.8997 -4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 2.7185 -4.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.1454 -5.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 0.9312 -5.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 0.2586 -4.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 0.4683 -3.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 -0.7553 -2.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 -0.5267 -1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -1.6786 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 -2.9803 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8704 3.8625 1.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 3.2297 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 2.7511 -0.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3677 3.1570 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4276 2.3272 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0502 0.8648 -1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1594 0.1349 -2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1774 -0.4909 -3.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 -0.5418 -2.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.0566 -3.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -0.5898 -4.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -1.9776 -3.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 -1.9036 -3.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.6339 -3.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 -3.6060 -4.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -4.9275 -4.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -5.6167 -4.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -5.1998 -6.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 -5.0529 -5.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 -6.3762 -5.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 -6.2601 -5.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3277 -5.1919 -3.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7066 5.4019 5.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 3.9631 5.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 4.3856 3.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 2.6054 4.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 4.0843 4.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 4.2584 7.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 2.2288 8.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8487 0.3255 6.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 1.0334 5.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 0.7067 6.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 -1.4232 8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 -2.0236 8.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 -1.2281 7.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 -3.6759 7.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 -4.4912 5.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -1.7436 6.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 -2.5455 4.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -3.6730 6.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 -4.6679 5.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -5.0571 3.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6007 -3.5867 3.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 -3.3432 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -2.2403 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4408 -2.7269 3.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 -2.8724 4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5813 -0.3609 4.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1032 -0.7836 5.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3533 -0.7888 2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 -0.5006 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4643 3.7008 4.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 3.8498 3.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 3.5386 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5004 5.6727 2.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1098 6.2250 2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 6.4085 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 4.8618 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 3.5787 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 5.1111 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 4.2464 -2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 5.7565 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 4.2544 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 2.8642 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 3.1982 -3.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 3.1960 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 5.5657 -2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 5.8217 -3.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 5.7823 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 4.5391 -5.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 4.2924 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 2.1377 -4.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 1.8700 -6.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0709 2.8716 -6.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 0.5143 -6.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.6660 -4.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8328 1.3286 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 0.4440 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -0.8296 -3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -1.6961 -2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -0.3223 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 0.3814 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 -1.8367 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -1.5398 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -3.2907 -1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 -3.7976 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 -2.8668 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1183 2.7548 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6811 4.2155 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4989 2.3653 -2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8149 2.7354 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8084 0.4287 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0936 0.8282 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 0.0861 -3.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2857 -1.0188 -4.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6933 -0.0378 -1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 -1.6212 -2.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 1.0928 -4.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -0.1608 -5.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -2.3841 -2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7229 -2.5828 -4.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 -1.2160 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -2.5620 -3.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 -3.2308 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -3.7227 -5.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -5.3047 -3.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -6.6068 -4.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -6.1172 -6.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -4.3968 -6.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 -4.8059 -6.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 -4.2793 -5.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 -7.1298 -6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 -6.7749 -4.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5338 -7.2045 -4.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 -6.0241 -5.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -5.2809 -3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2489 -5.3556 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 -4.2213 -4.4964 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 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 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END