HMDB0061112 RDKit 3D 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 33 33 0 0 0 0 0 0 0 0999 V2000 2.7483 1.9512 0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 1.1112 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 0.7624 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0521 0.0076 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 0.5801 -0.5502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 -0.2623 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 0.0818 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.5568 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 1.8325 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 1.5775 -0.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 2.3761 1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 -1.5063 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 -2.7175 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 -2.6529 0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 -3.9616 0.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 -1.3288 -0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -2.3312 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 1.8859 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1294 2.9902 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 1.4970 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 1.7657 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8728 0.2529 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 0.1600 -2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 1.6866 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -0.5115 -0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 -0.1437 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 2.1945 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 1.7835 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 1.8957 2.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -4.5773 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -2.2209 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 -2.3859 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 -3.3492 -0.3657 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 9 10 2 0 9 11 1 0 6 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 4 2 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 11 29 1 0 15 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 M END