HMDB0044753 RDKit 3D TG(18:0/18:0/14:1(9Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -4.2384 1.5292 6.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 0.7955 5.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -0.6324 6.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -1.4623 5.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -1.5476 4.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0709 -2.7066 3.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9756 -4.0358 4.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -4.8747 3.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -5.0286 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -5.9766 1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -5.9960 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 -4.9063 1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 -5.3012 1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 -4.5553 0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 -5.0669 0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 -3.3579 0.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -2.9646 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 -1.7344 -1.1610 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0974 -0.4513 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -0.2568 0.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 0.9395 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 1.7228 0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 1.5915 2.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7158 2.1722 3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 1.1249 4.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1650 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 -1.1006 4.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 -0.6173 4.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -0.6327 3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.2734 3.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 -0.4477 1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3547 -0.2068 1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6041 -0.4500 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -1.8681 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 -2.1202 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -3.5516 -2.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -3.9401 -3.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -3.0846 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -3.5711 -6.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2176 -1.7627 -2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 -1.7536 -3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 -1.7088 -3.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -1.7909 -4.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -0.5131 -5.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -0.0515 -3.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 1.2534 -4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.6408 -3.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 2.9323 -3.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 3.5599 -3.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 4.1678 -1.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 3.5162 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 3.3696 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 4.8135 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 4.7270 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 5.8449 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 7.0132 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 8.1645 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 8.2746 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 7.8615 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 1.0769 7.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 1.5929 5.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 2.6027 6.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 0.9428 4.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 1.3256 6.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 -0.6581 7.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 -1.0688 6.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 -1.0980 6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -2.4597 6.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -0.6472 3.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 -2.6616 2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8721 -4.6114 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 -4.1422 5.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -4.3754 4.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 -5.8764 4.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 -5.3548 2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 -4.0164 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 -5.9746 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 -7.0482 2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -6.9453 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -6.0984 2.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 -4.8463 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 -3.9780 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 -6.3863 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -5.3455 2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 -3.8296 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -2.9926 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -1.7418 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 -0.2898 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2512 0.3608 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 0.9325 2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 2.4419 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2095 2.9018 3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 2.7265 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 1.6070 4.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 0.9197 4.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -0.0492 2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -0.7392 3.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 -2.0767 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -1.2609 5.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 0.3788 4.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -1.3418 5.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -1.6480 2.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 0.0852 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -1.0115 3.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 0.7240 3.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 0.2548 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -1.4527 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 0.8469 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 -0.8460 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 0.2269 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 -0.2322 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.0964 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 -2.5609 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -2.1350 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -1.3934 -2.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -4.2126 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -3.6525 -2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -5.0129 -4.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -3.9176 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -2.0431 -4.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 -3.0668 -4.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -2.8573 -7.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 -3.8024 -6.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 -4.5282 -6.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 -2.0521 -5.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 -2.5715 -4.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -0.7325 -5.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 0.2781 -5.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 -0.8497 -3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 0.0885 -3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 1.1140 -5.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 2.0456 -4.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 1.4708 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 0.8206 -3.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 3.6479 -3.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6414 2.7680 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 4.4136 -3.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3044 2.8848 -3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 5.2486 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 4.4399 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 2.5110 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 4.0588 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 2.8044 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 2.9612 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 5.1093 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 5.4352 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1182 4.2017 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 3.8879 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 5.3705 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 6.1575 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 6.6287 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 7.4120 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 8.8429 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 8.8222 -1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 7.6915 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 9.3283 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 7.3874 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 7.2392 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 8.7916 1.0335 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 1 0 21 22 2 0 21 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 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 1 0 37 38 1 0 38 39 1 0 18 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 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 17 86 1 0 18 87 1 6 19 88 1 0 19 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 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 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 39124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 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 59159 1 0 M END