HMDB0049844 RDKit 3D TG(18:1(9Z)/14:1(9Z)/22:1(13Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -1.9561 9.2671 7.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 8.1613 7.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 8.7431 6.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 7.6054 5.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 6.7142 4.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 6.4288 3.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 7.0504 2.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 6.1003 2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 5.1754 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 4.2309 1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 3.2315 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 2.3660 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 1.3303 -1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 0.5092 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 0.8537 -1.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 -0.5887 0.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 -1.2738 0.3004 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8460 -2.7448 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -3.2303 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 -4.5368 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 -5.4052 -0.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0142 -4.8871 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3123 -5.4325 1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8132 -5.7039 1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5408 -4.3901 1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0219 -4.5318 1.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6114 -3.1394 1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3638 -2.5598 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9145 -1.1776 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1479 -0.1339 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7197 -0.2166 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4575 0.4022 -1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0193 0.3335 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4753 0.9525 -3.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 0.5997 -4.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3328 0.9335 -4.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6631 0.5330 -6.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1251 0.9148 -6.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2972 -1.0867 1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -1.5664 2.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -1.2143 2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.3173 2.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -1.7772 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 -1.3066 3.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 0.1405 3.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 0.3295 3.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 1.7325 3.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 1.8439 2.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 1.5996 1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0411 1.6186 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 1.4711 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0131 0.2475 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6435 -1.0626 -0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6641 -2.1374 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 -3.1402 -1.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 -3.3635 -2.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7647 -3.2899 -4.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 -4.3261 -4.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 -4.2192 -6.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 -5.2274 -6.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 -6.6489 -6.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 -7.5766 -6.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2959 -7.4201 -8.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 10.0563 7.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4767 9.7467 8.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 8.8518 8.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 7.6593 8.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 7.3810 6.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 9.3987 6.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 9.2922 5.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 8.1080 5.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 7.0383 6.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 6.1901 5.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 5.7467 3.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8553 7.7271 3.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 7.6762 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 5.5710 3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 6.6899 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 5.7528 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 4.5363 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 4.7788 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7815 3.6328 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 3.8930 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 2.6846 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 3.0172 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 1.8903 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 1.8534 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 0.7558 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 -0.8011 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -3.2893 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 -2.8698 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 -5.6645 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5771 -3.9781 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0069 -4.8026 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 -6.4139 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1251 -6.4924 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 -6.0353 2.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3786 -3.9890 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -3.7116 2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2844 -4.8880 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4534 -5.2341 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6926 -3.1320 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1004 -2.4838 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3857 -2.6869 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0686 -3.1368 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9823 -1.0809 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6697 0.8432 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1306 0.5039 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 -1.1840 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9988 -0.3402 -2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9516 1.3611 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4761 0.8017 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 -0.7394 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 2.0962 -3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 0.7965 -3.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 1.0781 -5.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -0.5105 -4.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 0.4773 -4.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 2.0399 -4.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6054 -0.5720 -6.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 1.0733 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6269 0.7337 -5.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1506 2.0031 -6.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5837 0.3336 -7.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 -0.0026 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -1.6146 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -2.8774 3.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -1.5637 4.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 -1.8940 4.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 -1.5656 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 0.3987 4.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 0.8434 3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 -0.3099 3.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -0.0095 2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5119 2.0576 4.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7714 2.4683 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 2.8629 2.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 1.1357 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1966 0.6342 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 2.3917 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5409 2.6080 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 0.7734 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7756 1.5153 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 2.3393 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 0.3643 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 0.1822 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 -1.1706 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7756 -0.9700 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 -2.0689 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 -3.8525 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3099 -4.4608 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -2.7709 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4063 -2.2595 -4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7079 -3.4460 -4.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0867 -5.3166 -4.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -4.1628 -3.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 -3.2060 -6.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 -4.3917 -6.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -5.0862 -7.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -5.0421 -5.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9363 -6.7868 -5.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 -6.8685 -6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 -7.3253 -5.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 -8.6315 -6.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 -7.0211 -8.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0194 -6.7742 -8.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -8.4299 -8.5036 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 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 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 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 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 6 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 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 38124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 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 55150 1 0 56151 1 0 56152 1 0 57153 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