HMDB0060893 RDKit 3D UK-121,265 40 42 0 0 0 0 0 0 0 0999 V2000 1.0050 -1.9285 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 -0.4158 0.3394 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9165 0.2107 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 0.0320 1.1963 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 0.6134 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 1.4027 0.1442 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7328 1.9662 0.1343 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5867 1.6099 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 1.0110 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 1.1913 -1.8740 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -0.1491 -0.3761 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4184 -0.4734 -1.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 1.0007 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 2.3373 -0.0245 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 2.9713 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 4.2372 0.5874 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 4.4261 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 3.2193 -1.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -1.3245 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -2.1482 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -3.1259 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 -3.2797 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3836 -4.2609 0.6784 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -2.4253 -0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -1.4563 -0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -0.6679 -1.9742 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 -1.9192 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -2.2723 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 -2.5264 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -0.2487 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 0.4845 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 2.2157 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -1.4182 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 0.8841 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 0.7545 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 2.5206 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 5.3758 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 -2.0827 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -3.7993 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 -2.5423 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 2 11 1 0 11 12 1 6 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 9 3 1 0 18 14 1 0 25 19 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 1 5 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 15 36 1 0 17 37 1 0 20 38 1 0 21 39 1 0 24 40 1 0 M CHG 2 6 1 7 -1 M END