HMDB0034136 RDKit 3D Octyl butanoate 38 37 0 0 0 0 0 0 0 0999 V2000 -4.4181 -0.3673 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6862 0.2959 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 0.5611 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6389 -0.7188 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -0.3883 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 0.5419 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 -0.0837 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -1.3747 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -1.3272 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 -0.5915 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0583 -1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 -0.5094 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1599 0.3956 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 1.7999 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 -1.4553 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.1999 -2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 0.1227 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1295 1.2920 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3995 -0.2981 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8166 1.2732 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 1.0189 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 -1.3013 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 -1.3898 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 -1.3177 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 0.0617 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 1.5097 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.6872 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -0.2718 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 0.6316 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -1.8153 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 -2.1003 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -1.4929 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -0.0564 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3608 -0.0466 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 0.4363 0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 1.9470 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 2.5315 0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 1.9418 0.5601 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END