HMDB0187777 RDKit 3D CL(10:0/10:0/15:0/18:2(9Z,11Z)) 197196 0 0 0 0 0 0 0 0999 V2000 7.6348 -2.6870 -5.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 -1.7033 -4.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -0.8204 -4.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9462 0.1672 -3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 1.2343 -3.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 0.9818 -4.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 0.2893 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -0.8460 -3.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -1.5306 -4.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.6813 -4.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -3.4088 -3.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -3.5860 -4.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -4.3721 -3.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -4.5680 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -3.3069 -3.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -3.5608 -4.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7111 -2.3001 -4.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 -1.3232 -5.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 -1.4061 -6.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 -0.3509 -4.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 0.6131 -5.8611 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1638 0.3827 -5.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 0.5600 -4.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 1.7287 -4.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 2.8284 -4.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 1.8438 -2.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 2.1942 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 1.1437 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 1.6616 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 0.6818 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 0.3638 -1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7562 -0.4422 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7688 -1.8124 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4291 -2.0469 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -3.5292 1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 -4.3543 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 -5.8355 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 -6.5951 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 -8.0474 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 1.9735 -5.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 2.0519 -5.6647 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 3.6384 -5.1802 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9718 3.4639 -4.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7413 4.4159 -6.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 4.5194 -4.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 4.8122 -3.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 5.6236 -2.9199 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5970 6.7803 -3.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 6.0702 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 5.0995 -0.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 5.7909 0.9870 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4691 6.7876 1.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8946 6.7085 1.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 4.7432 2.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 4.3876 2.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 3.5405 4.0644 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1385 2.2511 3.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 1.4122 3.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.1375 2.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 -0.2158 3.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 -0.7431 1.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 0.0170 1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 -0.8700 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 -0.1923 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 0.3401 1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 1.0105 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 1.6484 2.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 0.8061 3.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 0.1611 4.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 3.1722 4.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 3.4222 6.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 4.0477 6.7511 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 2.9650 6.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 1.5209 7.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 0.9799 7.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3631 -0.4615 8.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -0.5699 9.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -2.0086 9.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 -2.6771 10.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8536 -2.0283 11.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 -1.9767 12.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 -3.3522 -4.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 -3.2831 -6.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 -2.0809 -6.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -1.1905 -5.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0541 -2.2847 -4.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 -1.4700 -3.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3261 -0.2583 -4.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -0.4321 -2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 0.6893 -2.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7049 1.8963 -4.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8683 1.9112 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 2.0414 -4.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7119 0.5632 -5.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8286 0.7625 -2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.2710 -2.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.1428 -5.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -3.1855 -5.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 -4.4317 -3.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -2.9571 -2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4778 -4.0916 -5.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 -2.5702 -4.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 -3.7694 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 -5.3469 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -5.1496 -4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -5.2442 -3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 -2.7995 -2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -2.6798 -4.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4029 -4.2257 -3.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9352 -4.0971 -5.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7551 -2.5413 -4.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 -1.8290 -3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 0.3577 -6.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.0728 -6.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 -0.6416 -6.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9645 0.9504 -2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 2.6823 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 3.1351 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 2.3983 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 0.9469 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1897 0.2164 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 2.5537 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 2.0372 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.2758 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 1.1566 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8452 1.3373 -1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8968 -0.1322 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5527 0.1735 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2891 -0.4400 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -2.4293 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7889 -2.2765 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0543 -1.4249 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -1.8430 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3474 -3.5821 2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6666 -3.7517 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -4.2421 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -4.0703 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4322 -5.9784 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7951 -6.1555 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -6.4316 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 -6.2437 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -8.3426 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -8.2407 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -8.6795 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9872 2.2348 -4.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 2.7360 -6.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7224 4.3010 -6.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6547 3.8354 -2.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6694 5.3213 -3.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 5.1087 -3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6469 6.5306 -4.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 6.6344 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 6.7837 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 7.6924 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 5.3376 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 3.8086 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 4.1084 4.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 2.5098 3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 1.7521 4.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 -1.2379 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 -1.5563 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 0.2670 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3141 0.9383 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -1.1720 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 -1.7985 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 0.6605 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 -0.9018 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7645 -0.5418 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 0.9885 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 0.2473 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 1.7563 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 2.2387 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 2.4671 2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 -0.0352 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 1.4148 3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 0.2578 5.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 0.6321 4.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 -0.9148 4.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 3.0561 5.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 3.5860 7.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 0.8992 6.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4683 1.5237 7.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 1.6252 8.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 0.9889 6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -0.9052 8.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 -1.0601 7.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 0.0692 9.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3165 -0.2657 8.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 -1.9896 10.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 -2.5810 8.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -3.7061 10.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -2.8800 9.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -1.0017 11.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -2.6519 11.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -3.0111 12.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 -1.4012 12.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -1.4326 13.2544 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 2 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 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 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 2 0 59 61 1 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 56 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 1 82 1 0 1 83 1 0 1 84 1 0 2 85 1 0 2 86 1 0 3 87 1 0 3 88 1 0 4 89 1 0 4 90 1 0 5 91 1 0 5 92 1 0 6 93 1 0 6 94 1 0 7 95 1 0 8 96 1 0 9 97 1 0 10 98 1 0 11 99 1 0 11100 1 0 12101 1 0 12102 1 0 13103 1 0 13104 1 0 14105 1 0 14106 1 0 15107 1 0 15108 1 0 16109 1 0 16110 1 0 17111 1 0 17112 1 0 21113 1 6 22114 1 0 22115 1 0 26116 1 0 26117 1 0 27118 1 0 27119 1 0 28120 1 0 28121 1 0 29122 1 0 29123 1 0 30124 1 0 30125 1 0 31126 1 0 31127 1 0 32128 1 0 32129 1 0 33130 1 0 33131 1 0 34132 1 0 34133 1 0 35134 1 0 35135 1 0 36136 1 0 36137 1 0 37138 1 0 37139 1 0 38140 1 0 38141 1 0 39142 1 0 39143 1 0 39144 1 0 40145 1 0 40146 1 0 44147 1 0 46148 1 0 46149 1 0 47150 1 6 48151 1 0 49152 1 0 49153 1 0 53154 1 0 55155 1 0 55156 1 0 56157 1 1 57158 1 0 57159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 63164 1 0 63165 1 0 64166 1 0 64167 1 0 65168 1 0 65169 1 0 66170 1 0 66171 1 0 67172 1 0 67173 1 0 68174 1 0 68175 1 0 69176 1 0 69177 1 0 69178 1 0 73179 1 0 73180 1 0 74181 1 0 74182 1 0 75183 1 0 75184 1 0 76185 1 0 76186 1 0 77187 1 0 77188 1 0 78189 1 0 78190 1 0 79191 1 0 79192 1 0 80193 1 0 80194 1 0 81195 1 0 81196 1 0 81197 1 0 M END