HMDB0303265 RDKit 3D 2-Nonanone propyleneglycol acetal 38 38 0 0 0 0 0 0 0 0999 V2000 4.7587 1.7558 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 0.3323 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 0.2018 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -1.2510 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 -1.5556 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 -0.8703 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 -1.2838 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 -0.6415 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3765 -1.1005 1.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -1.0637 -0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -0.0223 -1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 1.1796 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5441 2.4021 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 0.7347 0.6078 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3799 1.8871 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4225 1.9999 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 2.4799 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1729 -0.0740 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 -0.2481 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 0.8229 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 0.6268 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.6165 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 -1.7880 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -2.6550 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 -1.3569 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 0.2190 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -1.2500 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 -1.0124 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -2.3795 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -0.5812 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -1.0293 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5217 -2.2021 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5246 -0.0377 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 -0.1414 -0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 1.3516 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5931 2.1589 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 2.8675 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 3.1413 0.1940 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 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 M END