HMDB0031688 RDKit 3D Hexyl glucoside 42 42 0 0 0 0 0 0 0 0999 V2000 5.5535 0.1741 1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -0.3021 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -0.4192 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -0.9067 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.0393 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -0.4664 -1.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3216 -0.6000 -1.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 0.5140 -0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 0.3886 0.4685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 -0.0974 0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 0.7458 2.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 0.3254 2.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -0.1720 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 -1.2503 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1639 -0.1913 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3112 0.0349 -2.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 0.9307 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 1.2718 -2.9233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 0.0152 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 -0.4580 2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3616 1.2357 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.4826 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -1.2713 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.5653 1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 -1.1383 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -0.9463 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 -1.9322 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 1.0483 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 -0.0390 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 -1.5053 -2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 0.0923 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 1.3764 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 -1.1235 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 0.7116 2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 1.7926 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 -0.6707 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1579 0.7511 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 -1.5363 -0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.1802 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 0.2349 -3.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 1.8214 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 1.6544 -3.0497 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 8 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 M END