HMDB0049905 RDKit 3D TG(18:1(9Z)/18:1(9Z)/24:1(15Z)) 185184 0 0 0 0 0 0 0 0999 V2000 6.5931 -2.5181 -5.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -3.8655 -5.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -4.0085 -5.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 -5.3846 -5.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0988 -6.4895 -4.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5131 -6.3557 -3.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 -7.4237 -2.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8428 -7.1704 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6156 -7.2872 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 -6.3471 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 -4.9716 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -4.5773 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 -4.6962 2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 -4.2500 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -2.7915 3.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0866 -1.8951 3.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -0.4958 3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 0.5461 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 1.8592 3.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 3.1232 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 3.6121 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 2.8311 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 3.6266 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 2.9155 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 1.6950 -0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 3.5981 -1.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 2.9625 -2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 4.0284 -3.0526 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7256 4.8481 -4.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 4.2186 -5.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 3.8009 -6.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 4.0312 -5.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 3.1625 -7.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 1.7241 -7.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7864 0.7200 -7.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4911 0.7560 -5.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4543 -0.4441 -5.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 -1.7037 -5.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4328 -2.9529 -5.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 -4.0751 -5.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1877 -4.8435 -4.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 -4.6663 -3.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -4.2256 -2.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 -2.9208 -2.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 -2.1803 -2.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 -2.8972 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 -1.9654 -1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -2.6214 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 -1.5871 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 4.8453 -1.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 4.8310 -1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 4.1122 -2.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5859 5.6785 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 6.8095 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 7.6822 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 6.9967 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 6.4662 2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 5.7964 3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0763 5.2980 4.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 4.6632 5.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7043 3.4361 5.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2795 2.4722 4.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 1.2343 4.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 1.5587 4.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 0.3190 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8602 0.6754 4.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4563 1.5704 5.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8913 1.8500 4.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5247 2.7594 5.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 -1.7251 -5.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 -2.3296 -6.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 -2.4772 -4.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7381 -4.6239 -5.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -4.0769 -7.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 -3.8322 -4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 -3.2723 -5.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 -5.5057 -4.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 -5.5354 -6.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -7.4425 -4.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -6.5133 -5.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 -5.3613 -3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -6.4254 -2.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4335 -7.3368 -3.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -8.4258 -3.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -7.9775 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3773 -6.2242 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.2809 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -6.5898 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4499 -4.8516 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -4.2384 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -3.5751 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6121 -5.2712 1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 -5.7904 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 -4.1908 1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -4.8489 4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 -4.3920 4.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.5246 4.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 -2.5829 3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2193 -2.0996 4.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 -2.2175 2.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 -0.2518 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -0.3510 2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 0.4075 3.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 0.3243 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 1.7673 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 1.7858 4.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2919 3.9341 3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 3.3168 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 4.6706 1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8783 3.7098 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 1.8917 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0646 2.6900 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 4.6389 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3028 3.7984 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2695 2.4166 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 2.2474 -3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3176 3.5122 -3.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 5.3205 -3.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 5.7269 -4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 3.3513 -8.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 3.7356 -7.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 1.5109 -6.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 1.4661 -8.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3166 -0.2936 -7.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 0.7674 -8.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 1.6183 -5.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 0.8040 -5.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 -0.3119 -4.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2146 -0.4178 -6.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7325 -1.5554 -5.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2777 -1.8974 -6.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 -3.0932 -6.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 -2.8503 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -4.2628 -6.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 -5.6739 -4.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -5.6786 -2.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6126 -3.9562 -3.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -4.1274 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -4.9721 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -3.2168 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 -2.2667 -2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 -1.9468 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 -1.2092 -2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 -3.1383 -3.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1723 -3.8291 -1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 -1.1087 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 -1.5362 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -3.4646 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -3.0357 -2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 -1.9417 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.2795 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 -0.7335 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5151 5.0708 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6015 6.1147 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6697 7.4130 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5426 6.3925 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9794 8.0142 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 8.6026 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 6.1958 2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 7.7837 3.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0867 5.8565 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 7.3706 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 6.4810 4.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 4.9347 3.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 4.7761 3.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 6.2558 4.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 5.2915 6.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 3.1274 6.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 2.9258 3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 2.0723 5.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 0.6951 5.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 0.5423 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 2.2702 5.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 2.0059 3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4119 -0.1514 5.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -0.3957 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 1.1233 3.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 -0.2766 4.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 1.1281 6.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 2.5869 5.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4064 0.8882 4.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8371 2.4135 3.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7827 3.5639 5.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4747 3.1549 5.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6583 2.1919 6.7409 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 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 2 0 31 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 39 40 1 0 40 41 2 0 41 42 1 0 42 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 28 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 22111 1 0 22112 1 0 23113 1 0 23114 1 0 27115 1 0 27116 1 0 28117 1 6 29118 1 0 29119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 39132 1 0 39133 1 0 40134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 49152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 69185 1 0 M END