HMDB0013070 RDKit 3D Sinapyl alcohol 29 29 0 0 0 0 0 0 0 0999 V2000 -1.9427 -3.4690 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -2.2147 0.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 -1.0389 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -1.0451 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 0.1253 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8168 0.1657 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5572 -0.8931 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 -0.7937 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.5223 -0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 1.3156 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 1.3533 0.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 2.5481 0.7488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6075 3.7833 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3226 0.1748 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 0.1941 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 -3.3679 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 -3.8916 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -4.1093 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.9777 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 1.1106 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 -1.8614 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2494 -1.1657 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 -1.4369 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 0.5459 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 2.2314 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 3.7058 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 4.5876 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 3.8832 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 1.0181 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 14 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 15 29 1 0 M END