HMDB0037150 RDKit 3D 2-Ethyl-2-heptenal 26 25 0 0 0 0 0 0 0 0999 V2000 3.9605 0.8091 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -0.0147 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 0.5462 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.3687 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 0.0289 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -0.7700 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -2.0908 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4371 -2.7525 1.0469 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 -0.2925 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 1.0968 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 0.5211 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 0.5410 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8222 1.8941 0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -0.1245 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -1.0446 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 1.5515 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 0.6570 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -1.3725 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -0.3084 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 1.0049 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 -2.5614 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5012 -0.3785 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 -0.9754 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.8277 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 1.1200 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 1.4564 -0.2567 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 2 0 6 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END