HMDB0038914 RDKit 3D 4,6-Decadiyn-1-ol isovalerate 39 38 0 0 0 0 0 0 0 0999 V2000 8.2412 -0.5699 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 -0.2159 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -1.0835 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -0.6918 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 -0.3637 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.0294 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 0.3753 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 0.8153 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 1.3763 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 1.8502 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 0.7956 -0.1442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 -0.3704 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.5581 1.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -1.4040 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3498 -0.7611 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9177 0.0019 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1261 0.1243 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -1.3759 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 0.2949 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7423 -0.9544 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 0.8579 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2119 -0.4386 1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 -0.8851 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -2.1380 -0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3953 1.5944 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 -0.0572 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 2.2127 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 0.5565 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 2.6777 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 2.2893 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6396 -2.0030 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 -2.1066 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 -1.5566 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9673 0.2607 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3523 0.9638 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 -0.5386 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -0.2350 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 1.1636 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0115 0.0677 -2.2391 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 3 0 5 6 1 0 6 7 3 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 M END