HMDB0037312 RDKit 3D Decyl butanoate 44 43 0 0 0 0 0 0 0 0999 V2000 5.8262 -1.6142 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9637 -0.8916 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 0.4546 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 0.1923 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 1.4111 1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 2.1966 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 1.3467 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.8630 1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 0.0243 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 0.8110 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 -0.1169 -0.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 0.2048 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0885 1.4031 -1.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 -0.8286 -1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3528 -0.1650 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 -1.1255 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.0878 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -2.3758 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -0.8597 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 -0.7385 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 -1.5213 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 0.9212 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 1.1114 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8555 -0.4709 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.3473 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 2.1030 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6924 1.0762 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 3.0750 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 2.5228 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 0.5153 -0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 2.0126 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.2062 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 1.6987 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 -0.9311 0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 -0.3232 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 1.2367 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 1.6593 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9028 -1.6975 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0197 -1.0574 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4656 0.8218 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -0.0325 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3477 -0.8315 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7109 -1.0302 -2.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1954 -2.1454 -0.9367 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 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M END