HMDB0032264 RDKit 3D Ethyl 2-ethylhexanoate 32 31 0 0 0 0 0 0 0 0999 V2000 -2.7875 1.4628 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 0.0247 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 -0.8443 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -0.4264 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.5366 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 -1.9241 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 -2.9332 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 0.0658 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 -0.4975 0.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 1.4210 0.5963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 2.1201 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 2.1466 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 2.0803 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 1.4454 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 1.9079 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7645 -0.2947 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 -0.1315 -1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 -0.7090 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 -1.9073 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 -0.9057 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 0.6741 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.1010 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -1.9024 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6482 -2.2377 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 -3.8856 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.5985 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.1583 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 1.7109 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 3.1571 1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 3.2015 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 1.6074 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 1.7663 0.7930 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 5 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 6 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END