HMDB0039620 RDKit 3D Butyl butyrate 26 25 0 0 0 0 0 0 0 0999 V2000 4.1121 0.6841 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -0.4367 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8139 -0.2312 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 -1.4030 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -1.3503 0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 -0.3439 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 0.6122 -0.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 -0.3651 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.8715 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 0.8337 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 1.4802 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 0.3390 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 1.1281 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 -0.5454 -1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 -1.3766 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 0.7052 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -0.2006 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 -2.3199 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -1.5477 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 -0.3845 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -1.3013 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 1.7433 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.8838 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2979 -0.1725 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 1.0869 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 1.6107 -1.4040 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END