HMDB0039879 RDKit 3D N-Acetoxymethylflindersine 39 41 0 0 0 0 0 0 0 0999 V2000 5.1512 0.7329 -1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 1.0685 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 1.9369 -1.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 0.4936 0.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6508 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 0.3835 0.9142 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 1.3582 0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 2.5551 0.6218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 1.0737 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1626 -0.2174 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2728 -1.2140 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 -2.5048 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -3.5205 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 -3.2608 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -1.9425 1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -0.9043 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 -0.5004 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 0.5037 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 0.4676 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7862 0.2737 -2.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 1.8822 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5908 2.1628 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 0.5325 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -0.1052 -2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 1.6331 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 0.0444 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 1.7114 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 -2.7561 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 -4.5480 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -4.0486 1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -1.7845 1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 0.7947 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3182 1.2048 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 -0.5599 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 -0.6585 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 1.1470 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 0.0670 -2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 2.6852 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2048 3.1621 -0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 10 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 2 0 16 6 1 0 22 9 1 0 16 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 5 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 19 32 1 0 19 33 1 0 19 34 1 0 20 35 1 0 20 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 M END