HMDB0046623 RDKit 3D TG(22:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 203202 0 0 0 0 0 0 0 0999 V2000 -11.5467 -7.0291 4.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9562 -6.0596 3.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8961 -6.7503 2.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2778 -5.9719 1.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5149 -4.7397 1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2426 -3.6650 2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9593 -3.0516 3.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7648 -3.4129 4.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8747 -2.2547 4.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 -2.1993 3.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9652 -3.3832 3.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 -3.7283 4.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -3.7109 3.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 -3.3760 2.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 -4.5505 1.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 -4.4398 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -3.1589 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -3.3009 2.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -3.1554 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -2.8450 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -1.5221 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1521 -1.1806 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 -2.0091 -2.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 -0.0490 -1.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 0.0365 -3.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 1.1800 -3.9149 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0083 2.5184 -3.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 2.8063 -2.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 4.0408 -1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 4.7466 -2.9073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 4.5500 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 5.7136 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 6.1298 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3446 7.1632 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 7.4373 1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 8.3256 1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 8.4424 3.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 7.0264 3.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 6.2007 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 4.7584 3.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 4.0149 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 2.5404 2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 1.9705 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 0.4914 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 0.0658 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -1.4390 -0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -1.7324 -2.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 -3.2133 -2.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1988 -3.9619 -2.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3161 -5.4628 -2.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -6.1489 -1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 1.0441 -5.3039 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 0.9828 -6.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 1.1063 -6.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 0.7521 -7.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 0.5341 -7.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 1.7131 -7.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 1.5447 -7.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 0.6280 -6.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 1.2365 -4.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1003 0.4931 -3.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 1.2729 -2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 0.6162 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 1.5058 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 0.9177 1.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 1.7440 2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 2.2222 3.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 1.3042 3.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 1.2837 3.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 2.1632 2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3115 1.4640 1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4403 0.7046 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 0.0341 0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 -1.0042 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 -1.6018 -0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9136 -2.2687 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8989 -2.8557 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7306 -6.5000 5.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9023 -7.9074 4.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5439 -7.3803 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5460 -5.1942 3.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7703 -5.7353 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1506 -7.2389 3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4177 -7.6378 1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1092 -5.7737 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6419 -6.7209 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2243 -4.3550 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5022 -4.9330 2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1515 -3.3078 1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5831 -2.2302 3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3631 -4.3773 3.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2217 -3.5329 5.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3399 -1.3505 4.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0184 -1.2961 4.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7596 -3.0764 2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6352 -4.2462 3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9862 -3.9846 5.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7661 -3.9803 4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7337 -2.4252 2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -3.3662 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -5.5405 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -5.3270 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -2.2791 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 -3.0126 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -3.5390 3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7374 -3.2730 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -2.9184 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -3.6064 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -0.7670 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -1.7179 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 -0.9482 -3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 -0.1991 -3.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6548 1.2125 -3.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1685 2.8168 -4.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 3.3175 -3.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 3.7781 0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 4.9725 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 6.6054 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 5.4920 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 5.2676 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 6.5691 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 8.1164 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 6.9076 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 6.5121 2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 8.0049 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 9.3874 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 8.0497 1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 8.9820 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 8.9228 3.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 6.5679 4.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 7.1955 4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 6.6002 2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 6.2041 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 4.3206 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1383 4.6919 3.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 4.1200 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 4.4274 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 2.3891 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 2.0344 2.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.1569 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 2.4853 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 0.1893 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 -0.0788 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 0.3430 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 0.6036 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 -1.7415 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 -1.8906 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 -1.4202 -2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 -1.1659 -2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 -3.5813 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6407 -3.4406 -3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 -3.8474 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -3.6242 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -5.8757 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 -5.6675 -3.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 -5.3948 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -6.3658 -2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -7.0881 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1878 -0.0768 -8.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 1.7149 -8.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8815 0.3052 -8.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -0.3979 -7.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 2.1868 -6.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 2.5318 -8.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 1.2392 -8.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 2.5532 -7.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 -0.4173 -6.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 0.7093 -6.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 1.4339 -4.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 2.2619 -4.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 0.4689 -3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 -0.5330 -3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 2.3082 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 1.4359 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -0.4137 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 0.6032 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 1.6217 -0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 2.4611 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -0.1652 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 0.8333 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.3015 3.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 2.7067 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 2.9230 3.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0022 2.9653 2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 0.5539 4.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 0.5139 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1936 2.8107 2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 2.8961 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7816 2.2609 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 0.8508 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 0.0635 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 1.5164 2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -0.4724 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8945 0.8294 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -1.7918 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -0.4502 -0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 -2.3775 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 -0.7720 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4458 -1.5137 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5716 -3.0832 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 -3.1004 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2473 -3.8231 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7900 -2.2122 -1.3509 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 26 52 1 0 52 53 1 0 53 54 2 0 53 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 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 2 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 3 84 1 0 4 85 1 0 4 86 1 0 5 87 1 0 5 88 1 0 6 89 1 0 7 90 1 0 8 91 1 0 8 92 1 0 9 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 6 27114 1 0 27115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 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 40135 1 0 41136 1 0 41137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 46146 1 0 46147 1 0 47148 1 0 47149 1 0 48150 1 0 48151 1 0 49152 1 0 49153 1 0 50154 1 0 50155 1 0 51156 1 0 51157 1 0 51158 1 0 55159 1 0 55160 1 0 56161 1 0 56162 1 0 57163 1 0 57164 1 0 58165 1 0 58166 1 0 59167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 61172 1 0 62173 1 0 62174 1 0 63175 1 0 63176 1 0 64177 1 0 64178 1 0 65179 1 0 65180 1 0 66181 1 0 66182 1 0 67183 1 0 67184 1 0 68185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 71190 1 0 72191 1 0 72192 1 0 73193 1 0 73194 1 0 74195 1 0 74196 1 0 75197 1 0 75198 1 0 76199 1 0 76200 1 0 77201 1 0 77202 1 0 77203 1 0 M END