HMDB0032548 RDKit 3D Undecanal propyleneglycol acetal 44 44 0 0 0 0 0 0 0 0999 V2000 6.7649 1.2959 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7653 1.0657 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 0.9615 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2039 -0.1751 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 -0.3178 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -0.5639 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -0.6867 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -0.9386 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 -1.0402 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -1.2947 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3976 -1.3863 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5164 -1.6165 -0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8531 -0.3420 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 0.5256 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 1.8897 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6073 -0.1988 0.8188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8276 0.4569 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7647 1.3889 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 2.2519 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0898 0.1944 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 1.9474 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 1.8982 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 0.8071 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 -0.0192 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -1.1258 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 0.5883 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -1.1633 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 -1.4918 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 0.2884 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 0.2591 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -1.5650 1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.0221 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 -1.8432 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.1390 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -1.9032 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -2.2848 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -0.4789 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 -2.1803 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2126 -0.0942 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9315 -0.2992 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4963 0.6349 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 1.9413 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8363 2.6485 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 2.1270 0.3113 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 14 15 1 0 14 16 1 0 16 11 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 13 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 M END