HMDB0034951 RDKit 3D Valerianol 42 43 0 0 0 0 0 0 0 0999 V2000 -1.7980 2.3845 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 0.9305 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 0.5862 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 -0.8226 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.7188 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -1.3270 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 -2.2988 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -1.7521 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 -0.3412 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 0.1665 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 0.0797 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 1.5957 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 -0.6226 -1.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 0.5909 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 0.0378 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -0.1048 2.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 2.6506 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 2.9911 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 2.7004 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 0.8141 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 0.6858 -1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6435 1.2619 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -0.9780 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 -1.0916 -2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -2.7598 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 -2.4395 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3096 -3.3187 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -2.3880 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9815 -1.9825 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -0.3082 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.0342 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -0.7720 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 0.9872 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 2.3016 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 1.8303 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.7449 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 -1.5472 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 1.4458 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 1.0796 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 -0.1017 2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 0.7737 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 -0.9978 2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 15 2 1 0 15 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END