HMDB0031589 RDKit 3D 4-Methyl-2-heptanol 27 26 0 0 0 0 0 0 0 0999 V2000 3.5005 0.9392 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 0.6067 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -0.4230 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 -0.8380 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 -1.4267 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 0.3016 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -0.1732 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2242 0.9417 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 -0.6399 -1.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 1.8852 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9517 0.0900 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 1.1093 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 0.3017 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 1.5295 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -0.0169 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 -1.3313 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -1.6325 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 -0.7028 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -1.9552 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -2.2475 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 0.6682 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 1.1795 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.9494 1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 1.3059 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 0.4940 0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 1.7091 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 -0.7254 -1.2020 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 4 6 1 0 6 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 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 M END