HMDB0030157 RDKit 3D Austalide K 62 66 0 0 0 0 0 0 0 0999 V2000 3.2494 3.6732 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 2.6073 0.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 1.2965 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 0.5374 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -0.7715 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -1.3572 -0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -2.7673 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -0.6005 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 0.7213 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 1.2088 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 2.3798 1.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 0.1746 0.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0452 -0.9913 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.4682 -0.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0487 -1.2417 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 -2.3406 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -1.6032 -1.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -1.6035 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.1409 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 -0.1244 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -1.3908 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9081 1.0279 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8715 -0.1811 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 -0.8001 2.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 0.5103 2.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 1.4346 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 0.7024 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 1.8810 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 0.1023 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 1.1246 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 4.2354 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 4.3895 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 3.2958 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -2.9848 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -3.4092 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 -3.0196 -0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -1.8137 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5546 -1.3457 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -1.9590 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -3.2710 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 -2.6183 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 -2.6136 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -0.8404 -2.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 -2.0619 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 -2.1603 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 0.1881 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -2.2922 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8259 -1.2563 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 -1.4283 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 0.7034 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6270 1.3168 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9287 1.8717 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 -0.1497 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 1.1345 2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 2.3400 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 1.8079 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.6787 -0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 1.5407 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 2.3083 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 -0.0114 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 1.9331 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 1.4916 -1.1852 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 10 11 2 0 10 12 1 0 12 13 1 0 5 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 9 3 1 0 29 15 1 0 30 4 1 0 13 8 1 0 27 19 1 0 1 31 1 0 1 32 1 0 1 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 22 52 1 0 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 28 57 1 0 28 58 1 0 28 59 1 0 29 60 1 0 30 61 1 0 30 62 1 0 M END