HMDB0032402 RDKit 3D 2-Methyl-3-heptanone 25 24 0 0 0 0 0 0 0 0999 V2000 3.7633 0.1400 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 0.2222 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 0.3995 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.5081 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -0.6696 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -1.6384 0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -0.7265 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 0.3783 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 -0.6078 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -0.5527 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -0.2611 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 1.1663 -0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1571 1.1063 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -0.7120 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -0.5149 -1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8925 1.2413 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 1.3907 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 0.7380 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -1.6747 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 0.5375 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 0.0123 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 1.3121 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 0.2996 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 -1.4934 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 -0.6011 -1.8426 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 2 0 5 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 M END