HMDB0247447 RDKit 3D 8-Mercaptooctanoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 3.8436 2.3316 -0.1694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 1.1202 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5067 0.7966 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 0.0175 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 0.5534 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7748 -0.5871 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -0.0212 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -1.1234 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 -0.6204 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 0.1105 -1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1043 0.6587 -1.1429 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 1.1878 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.5214 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 -0.6663 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 1.0764 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 1.2571 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 -1.0969 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 -1.3289 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 0.7247 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 0.4345 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -1.6593 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -1.8543 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -1.4856 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 0.0467 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 -0.5330 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 1.0255 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7438 0.1568 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 M END