HMDB0112083 RDKit 3D 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 39 39 0 0 0 0 0 0 0 0999 V2000 5.5049 1.6732 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9797 1.4635 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 0.6135 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 0.3721 0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -0.3369 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -0.5676 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 0.0976 -1.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 -0.3797 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 0.1395 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 0.9918 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 1.4835 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 1.2227 -1.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9081 2.3076 0.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -1.4302 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7225 -2.2699 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 -1.5403 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 -2.5540 1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 0.7101 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8193 2.4510 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7475 2.0190 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 0.9683 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 2.4314 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -0.4108 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.0419 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 1.3200 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 -0.2375 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.3699 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -1.2521 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8133 -0.7573 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 0.7398 -2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 1.8220 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 0.3413 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6076 3.2603 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 -2.4922 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -1.8434 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -3.2927 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 -3.5874 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -2.5289 1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 -2.3590 2.2706 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 1 0 10 11 1 0 11 12 2 0 11 13 1 0 8 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 6 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 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 M END