HMDB0031008 RDKit 3D (+)-15,16-Dihydroxyoctadecanoic acid 58 57 0 0 0 0 0 0 0 0999 V2000 -7.7076 1.6584 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 1.0366 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 1.2915 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 2.6961 -0.9672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 0.7003 -0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 1.3046 0.4307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1985 -0.7723 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9114 -1.5180 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 -1.2124 0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -2.0262 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 -1.7866 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 -0.3882 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3414 0.1939 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.6288 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -0.0726 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 -0.8975 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6027 -1.1059 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -0.0084 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 0.9751 -0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 2.0406 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 2.9281 -2.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6722 1.9717 -1.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4488 0.8842 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0455 2.0610 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6617 2.4857 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4947 -0.0219 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8281 1.5405 1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0601 0.9137 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 2.8227 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 1.0552 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 0.8962 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -1.1238 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 -1.0243 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1243 -2.6047 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 -1.2965 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 -1.4138 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -0.1566 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -3.1041 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -1.9524 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9362 -2.4841 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -2.1326 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 0.2818 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -0.3946 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 0.3716 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 1.1967 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -1.6919 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1466 -0.6180 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -0.2436 2.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6419 0.9887 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 -1.9441 2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 -0.5935 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 -1.9717 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -1.6341 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 0.5005 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0131 -0.5110 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 0.4195 -1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 1.4008 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2342 2.7185 -1.7032 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 22 58 1 0 M END