HMDB0034661 RDKit 3D alpha-Valerenol 40 41 0 0 0 0 0 0 0 0999 V2000 0.4179 2.7253 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 1.7763 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 0.4675 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 -0.4319 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 -0.1515 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 0.0924 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1936 0.1027 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 0.3655 -1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 -0.5767 -1.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -1.8336 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 -2.2252 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -1.2803 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 -2.0694 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.1245 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 1.0375 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 2.2487 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 2.3532 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 3.6895 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 2.9716 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 -0.4654 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.1421 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 1.1127 1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 -0.0455 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -0.7052 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 0.3555 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 1.3548 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -0.3542 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 -2.5237 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -1.7893 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -2.2170 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 -3.2762 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -0.9012 1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9604 -2.5987 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 -1.3776 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 -2.7872 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -0.4742 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 1.1361 1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 0.9510 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 3.1143 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 2.4961 -1.4542 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 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 4 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 2 1 0 14 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END