HMDB0037040 RDKit 3D Armillaric acid 58 61 0 0 0 0 0 0 0 0999 V2000 5.2082 -2.4115 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -1.0662 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6964 -0.5478 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 0.7040 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1631 1.2711 -0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 1.4375 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 0.9090 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 1.7272 -0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3008 -0.3476 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -0.9287 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 -2.0854 0.7583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 -0.3574 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 -0.8600 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -0.9366 -1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.2433 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 1.5245 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 0.1011 -1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 1.3858 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 1.0261 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 1.5836 -1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 1.5450 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6118 -0.4723 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 -0.9454 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7422 -1.3070 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 -0.9651 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 -1.4050 2.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -1.0684 3.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1936 -2.1636 3.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -0.1428 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4001 1.0249 1.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 -2.8579 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6268 -2.4120 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -3.0887 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5473 -1.1254 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9546 0.7289 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 2.4274 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 1.6007 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -1.9033 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -0.7171 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.8571 -1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 1.9713 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 1.3307 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 2.2619 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 -0.1120 -2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 1.9514 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 2.0820 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4369 0.8511 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9474 2.5639 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 1.8070 -2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0938 2.3877 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5445 0.7536 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8541 1.8587 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 -0.8269 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 -0.8521 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -1.8924 -1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 -1.9252 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9067 -2.7531 4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 1.2746 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 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 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 25 29 1 0 29 30 1 0 9 2 1 0 29 13 1 0 29 15 1 0 23 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 8 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 28 57 1 0 30 58 1 0 M END