HMDB0015031 RDKit 3D Testolactone 46 49 0 0 0 0 0 0 0 0999 V2000 2.3807 -0.8736 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 -0.9480 0.0892 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2721 -2.0877 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -1.8774 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -0.6146 0.3388 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2147 0.5865 0.2149 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3487 1.7450 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 1.9492 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 0.7349 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 0.6085 1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5577 -0.5988 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -0.7051 1.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.6313 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7926 -1.4666 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -0.2846 -0.3238 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7596 0.4263 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 0.3132 0.6980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4550 1.5316 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 1.2445 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -0.0536 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4222 -0.1069 1.3791 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -1.1582 0.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -0.0173 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.8622 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -1.8314 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 -1.9979 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -3.0810 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -2.7179 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0046 -1.9047 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -0.7734 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 0.7927 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 2.6907 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 1.6211 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 2.6808 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 2.4420 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 1.3924 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 -2.5278 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -2.2332 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7636 0.4367 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 -0.1404 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 1.4845 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 0.1713 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 2.3283 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0377 1.9220 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 1.3047 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 2.0864 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 6 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 17 2 1 0 22 2 1 0 15 5 1 0 15 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 1 6 31 1 6 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 13 37 1 0 14 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 17 42 1 1 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 M END