HMDB0032404 RDKit 3D 6-Methyl-5-hepten-2-one propyleneglycol acetal 33 33 0 0 0 0 0 0 0 0999 V2000 3.7890 -1.0732 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 -0.1324 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 1.0642 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -0.3553 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 0.6119 -1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 0.0833 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0019 -0.5184 -0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -1.6904 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2834 -0.9896 -0.7881 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 -0.4271 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 0.8783 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 1.4101 1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 0.4267 0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -2.1118 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7713 -0.7517 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 -1.0729 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 1.0845 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0768 0.9709 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 1.9993 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.2480 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 0.9860 -2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 1.4986 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -0.6532 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 0.9484 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 -2.1943 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0217 -2.4400 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 -1.4433 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -0.1701 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 -1.0428 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 1.5542 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 0.8823 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 1.4434 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 2.4721 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 M END