HMDB0039461 RDKit 3D 7-Methyl-3-octen-2-one 26 25 0 0 0 0 0 0 0 0999 V2000 3.9950 -0.8699 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 -0.7678 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 -1.1960 -1.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 -0.1691 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 0.3082 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 0.9217 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 1.0849 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -0.0690 -0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 0.5249 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 -0.9344 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 -1.1149 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -1.6210 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 0.1348 1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 -0.0849 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 0.2105 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 1.9711 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 0.4407 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 1.7622 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 1.7177 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 -0.6556 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4672 -0.3022 -1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 1.0897 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 1.1745 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1045 -0.9018 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 -0.6742 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 -1.9802 0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 4 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 9 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