HMDB0041616 RDKit 3D Propyl levulinate 25 24 0 0 0 0 0 0 0 0999 V2000 4.4006 -0.4609 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 -0.4214 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 1.0015 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 1.2103 0.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 0.5300 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 -0.3077 -1.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 0.7810 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 -0.1259 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6262 0.0690 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4488 -0.8831 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 1.0497 -1.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 0.0315 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 -1.5376 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 -0.0262 1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -1.1697 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 -0.6929 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 1.6273 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 1.3367 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 0.5303 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 1.8404 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 -1.1765 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9009 0.1362 -1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4056 -0.4166 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6194 -1.7753 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -1.1500 1.0948 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 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 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 M END