HMDB0032307 RDKit 3D Hept-trans-2-en-1-yl acetate 27 26 0 0 0 0 0 0 0 0999 V2000 -4.3842 -0.4234 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -0.4388 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 0.9547 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 0.9213 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 0.1836 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 0.7856 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 0.0080 -1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -0.0657 -1.4265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -0.6223 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 -0.7027 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -1.0565 0.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 -1.3914 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5936 0.3527 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9975 -0.2195 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 -0.9647 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 -1.0191 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 1.5226 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 1.4839 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 0.3854 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 1.9231 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -0.8702 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 1.8294 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 0.5398 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2593 -0.9974 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -1.5320 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 0.2611 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 -0.8475 1.1786 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 M END