HMDB0012094 RDKit 3D SM(d18:0/24:0) 153152 0 0 0 0 0 0 0 0999 V2000 -0.8177 -5.3597 1.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 -6.4483 2.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -7.5756 2.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 -7.2495 1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -6.4208 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 -7.0354 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -6.0750 -2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4391 -6.5606 -3.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -6.7755 -3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0981 -5.6430 -3.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -4.7369 -2.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 -5.3970 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 -4.3720 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -3.3545 -1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -2.4213 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7143 -1.3889 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 -0.4471 -1.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 0.5057 -1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 1.4857 -2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 2.4156 -2.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 3.3097 -1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 4.4579 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4192 4.4128 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 3.6003 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 2.8737 0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 3.6436 0.2355 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9453 2.8599 1.2776 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9844 3.5938 2.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 4.7816 2.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 5.4561 4.1956 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9299 5.7391 4.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 6.9173 4.2129 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.0881 4.3613 5.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 3.8532 6.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 2.8663 7.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1201 1.7071 6.6222 N 0 0 0 0 0 4 0 0 0 0 0 0 0.6872 0.9212 5.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 0.8536 7.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 2.0906 6.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 2.4126 0.9697 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8493 1.6512 2.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 1.5331 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 1.0279 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 0.2169 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 -0.1891 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0946 0.6204 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3776 1.8560 -1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 3.0933 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2289 4.3236 -1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9871 4.2779 -2.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 4.1541 -3.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 4.1124 -4.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0371 3.9814 -5.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 3.9139 -6.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 3.7751 -6.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 3.6939 -8.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 -4.4907 1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 -4.9829 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8116 -5.6884 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -6.0038 3.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 -6.8481 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -8.1070 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -8.3648 3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -8.1663 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 -6.6706 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1085 -5.3707 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 -6.4036 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 -7.2373 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2007 -8.0003 -1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5378 -5.0758 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 -5.9222 -2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 -7.5227 -3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -5.8103 -4.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 -7.4983 -2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -7.3243 -4.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 -5.0410 -4.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -6.0263 -4.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 -4.0153 -3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 -4.0766 -2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 -5.8838 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -6.1991 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -3.8219 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -4.8501 0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -2.7224 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 -3.8865 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 -3.0188 0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 -1.9313 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 -0.7833 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -1.8701 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 -1.0841 -2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 0.0944 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3287 -0.1863 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 0.9563 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 2.0300 -2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 0.9249 -3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 3.0297 -3.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 1.8394 -3.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 2.6805 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6991 3.7344 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 5.2123 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 5.0382 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7867 4.1840 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 5.5163 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 4.2819 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 1.9440 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 2.9487 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 3.7146 2.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4219 4.7233 6.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 3.4737 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 2.4953 7.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 3.3397 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -0.0851 6.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 1.4124 5.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 0.7443 4.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 0.4887 7.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 1.4160 8.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -0.0646 7.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7734 2.9341 6.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 2.3128 4.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 1.2585 6.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.2875 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 0.8700 2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 0.6831 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 2.1373 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 0.2156 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 1.7134 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0102 -0.7490 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 0.6635 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 -0.7218 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -1.1586 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6296 0.7222 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9224 -0.1292 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1754 1.7448 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 1.9718 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 3.2643 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 3.1172 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3067 4.5096 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 5.1897 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6116 3.4385 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 5.1980 -3.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1936 3.1624 -2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 4.9852 -2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 5.0173 -5.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9981 3.1782 -5.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 4.8301 -4.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6175 3.0697 -4.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 3.1015 -7.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 4.8755 -7.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 2.8897 -6.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 4.7076 -6.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 3.7159 -8.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 2.6793 -8.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 4.4788 -8.9353 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 1 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 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 40 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 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 23102 1 0 23103 1 0 26104 1 0 27105 1 1 28106 1 0 28107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 37112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 39120 1 0 40121 1 6 41122 1 0 42123 1 0 42124 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 56153 1 0 M CHG 2 32 -1 36 1 M END