HMDB0032047 RDKit 3D Propyl 3-methylbutanoate 26 25 0 0 0 0 0 0 0 0999 V2000 2.9233 1.1904 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 -0.1424 -0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 -1.2959 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1213 -1.3302 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 -0.5712 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 0.3790 0.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 -0.8877 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2938 0.0338 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 1.4451 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 -0.4030 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 1.1750 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 1.6429 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7939 1.9012 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 -0.3644 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.1164 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -1.4275 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 -2.2713 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -0.8337 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -1.9225 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -0.0602 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 1.7775 -0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 1.5138 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 2.1256 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 -1.4456 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 -0.4012 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 0.2890 0.2060 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 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END