HMDB0059773 RDKit 3D S-3-oxodecanoyl cysteamine 39 38 0 0 0 0 0 0 0 0999 V2000 -6.6994 -0.0462 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7093 0.2308 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -0.1612 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 0.1318 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 -0.2604 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4854 0.5069 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.1328 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 0.4043 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 0.9473 -1.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -0.0019 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 1.1169 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 2.2289 0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 0.8709 0.7275 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2959 -0.8736 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -1.1700 0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 -0.3666 -0.1055 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 0.8372 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7171 -0.1690 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3814 -0.9565 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 1.3282 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 -0.3144 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 0.4567 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2675 -1.2307 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 1.2392 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6561 -0.3849 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 -0.1331 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9812 -1.3608 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 0.1298 1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 1.5750 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 0.6358 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.9608 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 -0.4291 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -0.8837 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 -1.1290 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 -1.5569 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 -2.2385 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9046 -0.9635 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1126 0.3020 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 0.2212 -0.7405 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 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 10 32 1 0 10 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 M END