HMDB0015159 RDKit 3D Mycophenolic acid 43 44 0 0 0 0 0 0 0 0999 V2000 -1.9470 -2.8362 -1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 -1.4581 -1.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -0.4724 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 -0.0822 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6106 -0.7203 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6091 0.8899 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 1.4771 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 1.1161 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 1.7519 1.3526 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 0.1394 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 -0.3625 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 0.3495 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 -0.1920 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -1.6075 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 0.6457 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8866 0.0329 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1409 0.8068 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1503 0.4449 -0.9724 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 1.9037 0.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 2.4760 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2535 3.2045 2.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 2.4685 2.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 1.4920 1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4411 -3.1031 -0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4657 -3.4335 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 -3.1768 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -1.8387 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7136 -0.4981 -2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 -0.3910 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 1.6456 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 -0.5608 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -1.4117 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 1.4003 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5412 -1.9633 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 -2.2299 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 -1.7658 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 1.6727 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 0.6345 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 0.1550 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -1.0070 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2938 1.6889 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4264 0.7334 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4182 1.9815 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 7 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 10 3 1 0 23 6 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 19 41 1 0 23 42 1 0 23 43 1 0 M END