HMDB0031313 RDKit 3D 2-Pentyl-3-phenyl-2-propenal 33 33 0 0 0 0 0 0 0 0999 V2000 4.4456 0.4413 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 -0.7353 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -0.6632 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 -0.6295 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -0.5549 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 -0.5173 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 -1.5901 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -2.6107 -0.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2538 0.5074 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 0.6305 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 1.8189 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1835 2.0763 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 1.1352 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 -0.0529 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6084 -0.2909 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 1.3597 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8472 0.2791 -2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 0.7003 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 -1.6810 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 -0.8010 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 0.2285 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -1.5664 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 0.2861 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -1.4908 -0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 0.3601 1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 -1.4184 1.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -1.5453 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 1.3246 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 2.5786 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 3.0231 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 1.3828 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6819 -0.7766 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 -1.2083 1.0498 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 1 0 6 7 1 0 7 8 2 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END