HMDB0032413 RDKit 3D Methyl 2-octenoate 27 26 0 0 0 0 0 0 0 0999 V2000 -4.6175 -0.3204 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 -0.0194 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 0.2282 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 0.5536 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 -0.5765 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -0.1363 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 -0.8379 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -0.4970 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -1.2378 -0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 0.6085 0.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 0.9319 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -0.1855 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8877 0.4390 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 -1.3500 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 -0.9215 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 0.8144 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 -0.6836 -1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 1.0447 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 1.5027 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5673 0.7562 -1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -1.4837 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 -0.6841 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 0.7397 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -1.7294 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 1.6001 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 -0.0081 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 1.4524 1.4917 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END