HMDB0037734 RDKit 3D Isobutyl 2-furanpropionate 30 30 0 0 0 0 0 0 0 0999 V2000 4.0708 -1.1604 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 -0.1090 -0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 -0.4579 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 -0.1656 -0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.7900 -0.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.8875 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 0.0972 -1.3378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 1.8776 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 1.8004 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 0.4639 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.1257 1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2675 -1.1782 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 -1.5802 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -0.5657 -0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 -2.1467 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -1.1468 -2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 -1.0113 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 0.8777 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 -0.2433 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.5756 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 0.0156 1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 0.0192 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 -1.2004 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 1.6921 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 2.9121 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 2.5461 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 1.9884 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 0.7740 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -1.7629 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0129 -2.5634 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 M END