HMDB0013639 RDKit 3D 8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid 33 32 0 0 0 0 0 0 0 0999 V2000 4.7568 -1.2401 1.0856 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5005 -1.4352 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 0.1190 -1.2090 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 0.9712 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 0.2051 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 1.0428 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 1.2117 1.1903 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 0.3860 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 1.3343 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4636 0.7693 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -0.5476 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 -0.4309 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 -0.3944 2.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5097 -0.3562 2.5361 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -0.6625 1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 -0.7900 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -1.9040 -0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 -2.1474 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 1.9508 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 1.1505 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -0.7875 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 0.0224 -2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3393 2.0314 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 -0.0762 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.5809 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 0.2617 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 1.5801 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0378 2.3110 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 1.4858 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 0.5809 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 -1.2905 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 -0.8440 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7026 0.5748 2.9269 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 M END