HMDB0040193 RDKit 3D Ethyl nonanoate 35 34 0 0 0 0 0 0 0 0999 V2000 -4.2288 1.4001 -0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5487 1.0520 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 -0.3632 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 -0.6276 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 0.2417 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 0.0972 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 -1.3210 1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3511 -1.7484 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 -0.8650 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 -0.9972 0.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 0.1408 -0.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 0.9752 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 0.2506 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5768 2.1478 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2212 1.8931 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 0.5027 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 1.1320 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7747 1.7940 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -1.0292 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6736 -0.5745 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 -0.3539 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 -1.7044 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 1.2955 -0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -0.0623 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 0.7921 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 0.3647 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -1.9994 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 -1.4621 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8352 -1.8420 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7311 -2.7597 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 1.7295 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9358 1.5698 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 1.0278 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.3543 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 -0.3425 -2.2448 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END