HMDB0250227 RDKit 3D Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-(difluorometho... 43 45 0 0 0 0 0 0 0 0999 V2000 3.0444 -3.0239 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 -2.0769 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -0.8052 -0.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 -0.6149 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 -1.6346 -0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8827 0.6568 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 1.7090 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1632 1.6056 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 3.0159 0.5697 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 3.2098 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 2.1591 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 2.6240 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 1.9318 -0.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 3.9887 0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 4.4301 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 0.7563 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 -0.0383 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 0.3356 -1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 -0.4181 -2.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 -1.6006 -2.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 -2.0084 -1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -1.2187 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 -1.6428 1.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4153 -2.7801 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 -3.5325 2.2496 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -2.4646 2.6800 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9463 -2.4515 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -3.4920 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 -3.8265 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 -2.5130 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 -2.0131 -0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 1.3162 -0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 2.6378 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 1.0111 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 3.8618 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 5.2615 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 4.6952 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 0.3588 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 1.2728 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 -0.0800 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -2.2076 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 -2.9257 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 -3.4690 0.9925 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 11 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 16 6 1 0 22 17 1 0 15 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 24 43 1 0 M END