HMDB0032275 RDKit 3D Ethyl 3-octenoate 30 29 0 0 0 0 0 0 0 0999 V2000 -4.8107 -0.7235 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 0.3944 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 0.6110 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 -0.6650 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -0.5009 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 0.6465 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 0.9819 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 -0.0164 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 -1.2025 -0.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.3651 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -0.5450 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 0.1792 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -0.5886 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4553 -1.6875 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -0.7441 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 1.3167 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 0.1702 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 1.4493 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 0.9244 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -1.4495 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 -1.0057 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 -1.3526 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 1.4737 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 1.9541 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 1.2869 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 -0.9446 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 -1.3912 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 -0.5945 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 0.9086 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 0.7496 1.4066 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END