HMDB0032311 RDKit 3D 2,4-Hexadienyl acetate 22 21 0 0 0 0 0 0 0 0999 V2000 -4.0453 -1.1666 -1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 -0.7354 -0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -1.6142 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -1.2141 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 -0.8230 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 0.4890 1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 1.2242 0.5856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 1.3048 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 2.4897 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 0.2049 0.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -1.6823 -0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -1.8000 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 -0.2407 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 0.2351 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -2.5676 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -2.5120 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -1.5348 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 0.2934 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 1.1541 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 3.2271 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 2.9920 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6948 2.2763 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 M END