HMDB0245040 RDKit 3D 4,4'-Oxydi-2-butanol 29 28 0 0 0 0 0 0 0 0999 V2000 -4.4730 0.0084 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -0.2539 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 0.7685 -1.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 -0.4215 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.6886 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 0.4330 -0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 0.3300 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.1879 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 0.1092 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 -0.0338 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 1.1893 -1.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1804 -0.6827 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 1.0484 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -0.1881 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 -1.1772 -1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 1.6442 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 -1.2429 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 0.5050 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -0.8410 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 -1.5779 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9184 -0.5141 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 1.2415 -1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 -0.7462 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.0445 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 -0.8064 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 -0.9917 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 0.7949 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 -0.1147 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 0.9761 -2.2543 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 M END