HMDB0038215 RDKit 3D alpha-Sinensal 38 37 0 0 0 0 0 0 0 0999 V2000 -5.4155 1.8482 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1204 1.7177 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5007 0.9334 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3061 0.1928 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 0.8558 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 0.0687 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 -1.0011 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -1.1327 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 -0.1030 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 -2.2847 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -1.8930 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -1.0907 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 0.1481 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 0.7723 1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.8725 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 0.3735 -1.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 2.4666 2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1723 1.4087 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 2.2386 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0451 -0.9054 -0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 0.5282 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3711 0.2428 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 1.4103 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 0.7904 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2861 -0.3999 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 -1.7567 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 0.8265 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 -0.4742 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 0.0751 -2.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 -2.8507 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 -2.9500 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -2.8571 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -1.3953 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 -1.5103 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 1.0656 1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.7382 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 0.1474 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 1.8834 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 M END