HMDB0256440 RDKit 3D S-Phenyl-N-acetylcysteine 29 29 0 0 0 0 0 0 0 0999 V2000 -3.5931 -0.5333 -1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 -0.3693 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8907 -0.9502 0.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 0.2333 0.9606 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 0.9198 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 0.0519 0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 1.1115 0.3025 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 0.1590 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.2370 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 -0.9807 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 -1.3466 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -0.9462 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7545 -0.1992 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 1.9788 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 2.1990 -0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 2.7759 -0.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 -1.6040 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -0.3570 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 0.0515 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8236 -1.7135 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 1.4713 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -0.5463 1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6117 -0.6582 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9171 0.0601 2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -1.2583 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -1.9208 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 -1.2486 -2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 0.0722 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 3.7849 -0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 5 14 1 0 14 15 2 0 14 16 1 0 13 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 16 29 1 0 M END