HMDB0040629 RDKit 3D Isoacoramone 32 32 0 0 0 0 0 0 0 0999 V2000 4.4795 0.3931 0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 0.7257 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 -0.3338 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 -1.2925 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -0.3235 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 -1.3237 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -1.3521 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -2.3689 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 -3.3858 1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -0.3094 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4016 -0.3670 -0.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 0.5443 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 0.6870 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 0.7036 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 1.7297 -0.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 2.7911 -1.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -0.0659 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -0.4027 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2717 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 0.7161 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 1.7269 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -2.1208 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 -2.9705 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8467 -3.8580 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3097 -4.1918 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7462 1.5642 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 0.2084 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 0.7097 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 1.4752 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5677 3.1623 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 3.6796 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 2.5777 -2.7530 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 14 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 6 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 16 30 1 0 16 31 1 0 16 32 1 0 M END