HMDB0003229 RDKit 3D Palmitoleic acid 48 47 0 0 0 0 0 0 0 0999 V2000 -3.4781 -3.5522 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -2.0825 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1546 -1.3995 1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6006 0.0160 1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 0.8765 2.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 1.1041 2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 1.7653 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 1.2627 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 -0.0451 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 -0.9045 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -0.5297 -1.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9001 -0.6231 -2.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 0.1117 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 1.5980 -1.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 2.1472 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 1.7712 -1.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6078 1.1658 -2.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 2.1261 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 -3.9621 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5591 -3.6700 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 -4.0771 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6929 -1.6250 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 -2.0215 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 -1.5915 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 -1.9757 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 -0.0156 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5659 0.5218 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 0.5631 3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 1.9001 2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 0.2772 2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 1.9106 3.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 2.7783 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 1.8178 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -0.6162 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4611 0.0934 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -0.8963 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.9714 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 0.4741 -2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 -1.2307 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 -0.3611 -3.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -1.7202 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 -0.1785 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2678 -0.2263 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 1.8993 -2.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 2.0806 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 1.6859 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 3.2495 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 1.6416 -0.9298 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 18 48 1 0 M END