HMDB0047381 RDKit 3D TG(24:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 192191 0 0 0 0 0 0 0 0999 V2000 -3.7886 3.3348 2.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 3.4300 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 2.5953 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 2.8205 -0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 2.0821 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 2.3935 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 1.4660 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 0.0603 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -0.7985 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 -1.7844 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -2.1981 2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 -2.3808 2.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -3.5750 3.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 -4.7044 3.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -5.4866 4.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 -5.5173 5.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9427 -4.5839 4.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 -3.9495 5.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 -2.7577 6.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6337 -1.7525 5.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 -0.4150 5.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 0.4326 4.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 -0.1555 4.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 1.7664 4.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 2.4205 4.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 3.9130 4.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 4.5103 4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3615 3.9304 2.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 3.9248 1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 4.5200 1.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.2856 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 3.4527 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 2.8044 -2.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 1.3162 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9963 0.6008 -3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.6941 -4.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3133 -0.0171 -5.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.1660 -6.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 -0.4523 -7.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -0.2434 -8.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 -0.8854 -7.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 -0.6227 -8.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 -1.3556 -8.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -1.1280 -9.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -1.8091 -8.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8596 -1.6708 -7.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -2.0603 -6.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 -2.0972 -5.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 -0.9415 -4.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8949 -0.1850 -5.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5651 0.8880 -4.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5652 1.8412 -4.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 2.5187 -5.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6826 4.4479 5.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 5.0588 5.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 5.1600 4.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6872 5.5958 6.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 4.3695 7.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8948 3.7609 5.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 2.4735 6.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 1.9707 5.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0301 0.6430 5.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 0.2888 4.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 -1.0561 4.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 -2.0339 3.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -1.8785 2.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7274 -2.1615 0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -3.0569 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 -3.8982 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1638 -3.5721 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 -4.3429 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -3.8947 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -4.5805 -1.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -6.0721 -2.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 2.3676 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 4.1392 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1335 3.6037 2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7705 3.0578 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 4.4990 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 2.9615 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 1.5348 0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 3.9187 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 2.4703 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 1.0333 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 2.5322 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 3.4449 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 1.7397 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.2062 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -0.1524 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -0.6140 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 -2.3814 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -3.0894 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -1.3913 2.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 -1.5800 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 -3.6325 3.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 -4.5271 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -5.4638 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 -6.1587 4.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 -6.1469 5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 -5.1873 4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -3.7570 3.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -4.5799 6.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 -2.4616 7.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -2.1493 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -1.5433 6.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 0.0006 6.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -0.3692 4.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 2.1569 5.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8329 2.0233 3.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 4.0893 3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 4.3183 4.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 5.6150 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6179 3.8674 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 2.2523 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7797 3.2386 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 4.5706 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 2.9554 -2.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2916 3.2972 -2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2982 1.1712 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5741 0.8904 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1992 -0.4611 -2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 1.1014 -3.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 0.1693 -3.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 1.7323 -4.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 0.3620 -5.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 -1.1099 -5.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8409 1.2278 -6.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -0.3276 -5.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 -1.5660 -7.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 -0.1265 -8.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -0.6108 -9.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 0.8447 -8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 -1.9878 -7.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 -0.4208 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 0.4703 -8.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 -0.9835 -9.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -0.8714 -7.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3419 -2.4023 -8.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 -1.4639 -10.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9106 -0.0098 -9.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 -2.9612 -8.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 -1.7144 -9.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7907 -2.3140 -7.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 -0.6301 -7.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 -3.0759 -6.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 -1.3854 -6.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -2.5610 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -2.9755 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 -1.2486 -3.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 -0.1865 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7313 -0.7964 -5.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4774 0.4497 -6.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2873 1.4223 -5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0412 0.2904 -3.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8456 1.4202 -3.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 2.6373 -3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4891 2.5282 -6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 1.9711 -5.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 3.5745 -4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 6.0147 7.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 6.3030 6.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 3.7240 7.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 4.7660 7.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 4.4979 5.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3474 3.5795 5.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 1.8060 6.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3207 2.6767 7.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 2.7210 5.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 1.9979 4.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 -0.1936 5.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 0.6606 6.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6959 1.0119 4.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2428 0.5569 3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 -1.2434 5.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -3.0039 3.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 -0.8181 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -2.4309 2.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 -1.5512 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 -3.1693 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -3.7666 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 -4.9965 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 -3.6651 -1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 -2.4948 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 -5.4294 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 -4.0209 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -4.1351 -2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -2.7925 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 -4.3278 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 -4.1604 -2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -6.4794 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -6.3143 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -6.4872 -2.5103 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 29 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 39 40 1 0 40 41 1 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 2 0 55 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 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 3 81 1 0 4 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 0 25109 1 0 26110 1 0 27111 1 0 27112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 45141 1 0 45142 1 0 46143 1 0 46144 1 0 47145 1 0 47146 1 0 48147 1 0 48148 1 0 49149 1 0 49150 1 0 50151 1 0 50152 1 0 51153 1 0 51154 1 0 52155 1 0 52156 1 0 53157 1 0 53158 1 0 53159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 65175 1 0 66176 1 0 66177 1 0 67178 1 0 68179 1 0 69180 1 0 69181 1 0 70182 1 0 70183 1 0 71184 1 0 71185 1 0 72186 1 0 72187 1 0 73188 1 0 73189 1 0 74190 1 0 74191 1 0 74192 1 0 M END