HMDB0244256 RDKit 3D 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)- 42 41 0 0 0 0 0 0 0 0999 V2000 8.2117 0.9320 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 -0.3478 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4982 -1.4042 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 -2.1979 0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -0.8255 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -0.3640 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 0.1601 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.6007 0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 1.1710 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 0.0242 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5486 -0.2626 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 0.5547 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 1.2312 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5431 0.4705 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 -0.4544 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1515 -1.1834 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3932 -0.3853 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6703 0.4733 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 1.1965 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 1.7284 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 -0.6300 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3501 -2.0194 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.6349 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 1.8343 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 1.7436 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 -0.6464 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0512 -1.1920 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -0.1583 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 1.2762 -0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 1.9390 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 2.0142 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 0.0041 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 1.2661 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7435 0.0029 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 -1.2914 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1319 -1.9280 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -1.7712 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2477 -1.1239 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4988 0.2105 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 0.1449 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7493 0.2799 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6097 1.5623 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 3 0 6 7 1 0 7 8 3 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END