HMDB0032312 RDKit 3D 2,4-Hexadienyl butyrate 28 27 0 0 0 0 0 0 0 0999 V2000 -5.3937 -0.3076 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1921 0.4443 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 -0.1933 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 0.4888 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 -0.1427 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 0.5969 -1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 0.2906 -0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 -0.9961 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 -1.9176 -1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -1.2303 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 0.0822 0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 1.0607 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2729 0.3312 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4646 -1.2993 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2954 -0.3740 2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 1.5258 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -1.2874 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 1.5686 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -1.2280 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 1.6811 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5647 0.3336 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -1.9045 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 -1.6418 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -0.1408 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 0.4970 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1818 1.8330 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 1.4587 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 0.4710 -1.0762 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 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 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END