HMDB0044290 RDKit 3D TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -0.0858 -4.8029 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 -3.6354 2.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -2.4776 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.3428 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4627 -0.1190 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 0.8566 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 2.0375 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 2.7180 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 3.9547 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 4.2418 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 3.3650 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 4.1884 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 4.5515 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 4.2184 -2.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 3.4799 -3.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 3.0646 -4.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 2.1172 -5.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 0.8618 -4.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 0.7329 -3.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 -0.2280 -4.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -1.3591 -3.6655 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7587 -2.5471 -4.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 -3.6412 -3.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 -3.6745 -2.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0088 -2.6623 -2.9514 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -4.8659 -2.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 -5.1708 -2.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 -4.2490 -1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2318 -3.8247 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 -3.0581 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 -2.8003 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 -2.0197 2.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -2.6745 2.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 -2.2474 2.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 -0.9829 1.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8502 0.0227 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 1.2127 1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 1.7646 2.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 2.3049 4.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 1.5012 5.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 0.4467 5.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.7343 5.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 -1.7005 -2.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -2.1056 -3.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -2.4267 -3.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -2.3315 -2.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -2.8841 -4.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -1.8871 -5.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 -0.9272 -4.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 -1.5623 -4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 -0.6226 -3.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6153 0.4585 -2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8156 1.3374 -2.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5687 2.4802 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0972 2.2559 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0758 1.4442 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 1.3070 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4754 0.5225 3.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8256 0.4886 4.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6274 -0.2597 5.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8626 -0.2065 6.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -4.5522 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -5.1242 2.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 -5.6703 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 -3.2358 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 -3.9459 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -2.2525 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 -2.9182 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -1.6697 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -1.0533 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 -0.4769 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 0.2272 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 0.5102 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 2.6681 1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 3.0659 2.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 2.0516 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 4.6752 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 5.2040 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 3.1958 -1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 2.4449 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 4.5095 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 5.1776 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 3.6381 -3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 5.1976 -3.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 2.7568 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 4.2815 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 2.5676 -5.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 3.9653 -5.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 2.5775 -5.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 1.8231 -6.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -1.1646 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 -2.1731 -5.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 -2.7626 -5.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 -4.8770 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -5.7200 -2.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3591 -5.4413 -3.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 -6.2235 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 -3.3345 -2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -4.6962 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1916 -3.1980 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4841 -4.6822 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -2.0819 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -3.6212 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8604 -3.7913 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6016 -2.2674 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -2.1725 3.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 -0.9482 2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -3.7130 3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -2.9339 2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.5829 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -1.2423 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -0.2484 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 1.8701 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8977 1.1747 2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 2.6985 2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 3.1024 3.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 2.9844 4.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 1.1403 4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 2.2353 5.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 0.0529 6.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 0.8846 6.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -1.5193 5.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -1.2518 6.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 -0.6266 4.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 -2.4430 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -0.7845 -2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 -3.6451 -4.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -3.5356 -5.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 -1.2611 -5.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -2.4085 -6.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 -0.2401 -4.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2279 -0.3134 -5.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -2.2597 -3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4598 -2.2288 -4.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8697 -1.2315 -3.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 -0.1555 -4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 1.1039 -3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 0.0018 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2619 1.7099 -3.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6237 0.7046 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8034 3.1590 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5270 3.0907 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0846 1.8182 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0369 3.2623 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0399 1.9494 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1818 0.4250 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4931 2.3343 2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5575 0.8849 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -0.4890 2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4520 1.0524 3.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7189 1.5448 4.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 0.0208 4.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6012 0.2097 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7603 -1.3335 5.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5894 -0.0328 7.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1991 0.6794 6.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3124 -1.1429 6.9444 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 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 2 0 24 26 1 0 26 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 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 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END