HMDB0030764 RDKit 3D Acetylpterosin C 40 41 0 0 0 0 0 0 0 0999 V2000 6.1932 -0.2523 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 -0.2350 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.3632 0.2236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 0.9534 0.5179 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 0.9419 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 0.4487 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 0.4347 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 1.6024 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3157 2.9413 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 1.5866 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 0.4011 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 -0.7706 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 -0.7295 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 -1.9954 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 -1.8366 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -3.0058 0.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 -1.2725 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4688 -1.6732 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7629 0.2012 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 0.9268 -0.3043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 0.6710 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 -1.1132 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3866 -0.4192 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 0.2390 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 1.9570 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 -0.5521 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.1424 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4622 3.6100 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 2.9069 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 3.4631 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 2.5233 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0981 -2.8900 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 -1.9146 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 -2.1419 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -1.6851 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -0.8383 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -2.1048 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 -2.4905 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 0.5163 1.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 1.8165 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 12 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 13 7 1 0 19 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 9 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 M END