HMDB0060788 RDKit 3D 6-O-Desmethyl-mycophenolic acid 40 41 0 0 0 0 0 0 0 0999 V2000 2.4524 -0.4273 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 0.0628 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -0.3430 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -1.2530 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -0.7520 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4641 0.1952 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 0.7695 -1.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 0.5892 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4251 1.6272 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 0.0435 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 -0.9247 1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -1.3143 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -2.2846 1.6552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5926 -1.3164 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 -2.1732 3.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7737 -0.5930 2.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 0.2904 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 0.9777 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 1.4298 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 0.3352 1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 0.5511 2.9372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 -0.9508 1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -0.0760 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.5559 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5361 -0.1587 -2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 0.0242 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 -1.4142 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -2.2570 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 1.4809 -2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 1.4529 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5095 1.6901 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 2.6419 -1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 -2.6932 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 1.3575 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 0.0706 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 0.5154 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 1.8431 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6918 2.0990 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 2.0848 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -1.6449 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 11 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 2 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 12 5 1 0 17 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 13 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 22 40 1 0 M END