HMDB0059866 RDKit 3D Ethyl 3-hydroxytridecanoate 48 47 0 0 0 0 0 0 0 0999 V2000 -6.6275 1.0864 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -0.0648 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2798 0.3297 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 0.8973 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2311 -0.0669 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 0.6234 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 -0.2809 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 0.5193 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -0.2625 2.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 -1.5267 1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 -1.3596 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 -0.7653 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -0.6919 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 -0.5305 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -0.9341 -1.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 0.0530 -0.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 0.2126 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 0.8747 -1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0134 1.9572 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4523 0.7511 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7784 1.3820 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8457 -0.8651 0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1495 -0.4525 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0834 -0.5280 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 1.1215 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 1.1258 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1585 1.8522 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 -0.9634 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.4297 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 0.9122 -0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 1.5173 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6661 -0.5957 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -1.1622 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 1.4173 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 0.9484 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.4990 3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 0.3572 2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6499 -2.1518 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 -2.1140 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 -2.4006 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -1.2905 -1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 0.2930 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 -1.3513 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 0.8525 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5837 -0.8086 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 0.2731 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 1.8730 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4223 0.8650 -2.2063 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 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 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 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 M END