HMDB0059783 RDKit 3D 3-Methylsuberic acid 29 28 0 0 0 0 0 0 0 0999 V2000 1.7912 1.1441 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 0.5388 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 -0.7727 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.7282 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 0.2206 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.1896 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 0.7641 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7652 1.7257 -0.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4935 0.6451 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 0.4616 1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0405 -0.3519 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -1.6234 1.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 0.1980 1.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.9287 -2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7827 2.2609 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 0.7604 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 1.2489 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0735 -1.2380 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -1.4673 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 -0.4263 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.7277 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 1.2559 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 0.1160 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 -0.1354 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -1.1934 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 0.6301 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 0.0214 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 1.4688 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1546 -0.2253 1.2382 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 2 0 7 9 1 0 2 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 M END