HMDB0037196 RDKit 3D Ethyl 2-methyl-3,4-pentadienoate 22 21 0 0 0 0 0 0 0 0999 V2000 -2.1527 1.9660 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 0.9735 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -0.0359 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 -0.9333 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4335 -2.1985 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 -0.3761 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -0.8846 -0.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 0.7131 0.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 1.2562 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 0.2328 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6683 1.7528 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6407 2.8280 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -0.1123 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -1.2910 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3596 -1.9580 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 -2.6125 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -2.9856 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 2.1115 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 1.6380 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9089 0.4565 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 -0.7768 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5386 0.2362 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 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 3 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 5 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 M END