HMDB0094642 RDKit 3D 3-Methyl-5-propyl-2-furannonanoic acid 48 48 0 0 0 0 0 0 0 0999 V2000 -6.8989 1.4031 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5993 0.7609 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3912 0.7302 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 0.0849 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -0.0816 2.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3561 -0.7151 2.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -1.1243 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 -0.8949 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -1.5498 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -0.5910 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.2958 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5789 -0.3026 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -1.0430 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0265 -0.4127 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 0.8092 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 2.0353 -1.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 2.2832 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 2.3237 0.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 2.4577 0.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -0.4102 0.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4756 0.7988 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5224 1.6483 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 2.3662 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6852 -0.3235 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 1.1523 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2373 0.0866 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4711 1.7518 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 0.2084 3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -1.4191 4.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -1.9674 2.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 -0.2232 3.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -1.8412 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -2.4628 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -0.2503 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 0.2884 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6274 -2.1389 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 -1.6795 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 -0.0141 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 0.5429 -1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -2.0505 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 -1.4336 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 -1.2020 -1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 -0.2379 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 0.5985 -3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 1.0336 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 2.1150 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 2.8913 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 1.8568 1.6913 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 8 20 1 0 20 4 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 19 48 1 0 M END