HMDB0243976 RDKit 3D 1-O-Pentylglycerol 29 28 0 0 0 0 0 0 0 0999 V2000 4.7044 0.5633 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 1.0648 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -0.0694 -0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 0.3183 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 -0.8948 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 -0.7688 -0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.4868 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 -0.3763 0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 -1.5972 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 0.6960 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 0.6892 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 1.3973 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -0.0897 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -0.0883 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 1.3275 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 1.9520 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -0.9154 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 -0.4253 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 0.4984 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 1.1596 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 -1.2433 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -1.7060 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 -1.3165 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 0.4335 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -0.1472 1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0832 -1.9870 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 0.4956 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3732 1.7078 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4993 -0.1915 -0.0986 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 1 0 8 9 1 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 M END