HMDB0032246 RDKit 3D Dodecanal dimethyl acetal 46 45 0 0 0 0 0 0 0 0999 V2000 -5.8348 -0.0885 1.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0725 0.1175 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 0.5216 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 0.7369 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 -0.5373 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -0.3368 -2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.0633 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 -0.9671 -1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.5968 -1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 0.6866 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 1.1551 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 0.2382 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -1.0016 0.2283 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 -1.1397 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 0.1098 2.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 0.6163 3.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5855 -1.0957 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 0.6426 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9260 -0.0216 1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1146 -0.8703 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 0.9163 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 1.5009 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 -0.1930 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8341 1.0367 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 1.5574 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -1.3833 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8798 -0.7453 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 0.4996 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1248 -1.2263 -3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 1.0499 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 0.1904 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -1.0847 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.9291 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 -0.4788 -2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -1.4658 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 0.6632 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 1.4765 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 2.1632 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 1.3225 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 0.7485 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8591 -0.3658 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 -1.0108 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 -2.1197 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 0.4624 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 1.7163 2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 0.1584 3.0110 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 M END