HMDB0049841 RDKit 3D TG(18:1(9Z)/14:1(9Z)/18:1(9Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -8.1692 -4.8807 -7.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -4.1620 -6.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9977 -4.0835 -5.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6036 -3.3935 -4.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9708 -1.9962 -4.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4915 -0.9672 -3.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4848 -1.0741 -2.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2586 -0.3269 -3.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0607 -0.3637 -2.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 0.0484 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8493 -0.8161 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -0.4254 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -0.4679 2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7133 -1.7694 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -2.7802 1.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 -1.9767 2.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 -3.2473 2.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -3.1129 1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -2.4880 0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -2.1730 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -2.4736 0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3168 -1.5090 -1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -1.1480 -2.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -0.4499 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 -1.2810 -4.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 -0.4837 -5.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 0.0250 -6.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 0.8073 -7.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 1.3332 -7.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 2.5920 -8.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9204 3.6693 -7.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 4.6315 -6.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 3.8410 -5.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 4.7482 -4.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 3.9095 -3.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 4.7559 -1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 3.9158 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 2.8172 -0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -3.8785 3.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 -3.1017 4.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -3.5500 5.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 -4.6537 6.1227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -2.8603 6.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -3.7850 6.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -3.1375 7.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 -4.1653 7.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -3.6897 8.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 -2.4945 8.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8781 -2.3775 7.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 -2.5109 5.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 -1.5906 4.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 -0.2415 5.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3293 0.7191 5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 2.1485 5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 2.9318 5.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 2.7425 4.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 3.5301 4.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 3.1061 5.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 3.9445 5.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8593 -5.2733 -8.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 -4.1595 -8.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5351 -5.6944 -7.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -3.2098 -7.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7432 -4.8821 -6.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0615 -3.5411 -5.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7336 -5.1049 -5.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9678 -3.5262 -3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5312 -4.0018 -4.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6985 -1.8114 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7979 0.0380 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3739 -2.0463 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0233 -0.4083 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 0.7599 -3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9923 -0.7021 -4.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 -1.4589 -2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 0.1086 -2.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 1.1204 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 0.1128 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9292 -0.7732 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -1.8717 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1217 0.6386 1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4709 -1.0351 2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 -0.0408 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7854 0.3227 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 -3.9191 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 -4.1567 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 -2.6538 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -2.1535 -2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -0.5258 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 -0.4806 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 -2.0565 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 0.5219 -3.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -0.2435 -3.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 -1.5629 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 -2.2427 -4.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 0.3790 -5.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 -1.1060 -6.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.8237 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 0.7325 -5.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 1.4864 -7.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 0.0120 -8.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 0.5900 -8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 2.8506 -8.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 4.2797 -8.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 3.3895 -7.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2691 5.1512 -7.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 5.4105 -6.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 3.0509 -5.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 3.3444 -5.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 5.5773 -4.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 5.1991 -4.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 3.0980 -3.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 3.4508 -2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 5.4611 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 5.3479 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 3.5246 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 4.5780 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 2.0269 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 3.2950 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 2.3842 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 -4.9210 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -3.8439 4.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.9575 6.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -2.5202 7.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -4.2270 5.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 -4.6325 7.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 -2.8198 8.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -2.2460 7.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -4.7195 7.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -4.9488 8.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -4.5525 8.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -3.6591 9.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 -2.3696 9.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 -1.5315 8.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6524 -3.2458 7.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 -1.4799 7.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 -3.4988 5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 -1.8325 4.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 -0.0181 4.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0767 -0.0388 6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9311 0.6202 4.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 0.3449 5.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 2.4569 4.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 2.3056 6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 2.5503 6.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 4.0066 5.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 1.6732 4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1475 3.0622 3.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6638 3.4237 3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 4.6269 4.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 3.2834 6.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 2.0543 5.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 4.1244 6.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 3.4263 4.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 4.8943 4.8768 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 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 1 0 28 29 1 0 29 30 2 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 17 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 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 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 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M END