HMDB0012295 RDKit 3D Trimethyl sulfonium 13 12 0 0 0 0 0 0 0 0999 V2000 -0.8082 -1.4470 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -0.0702 -0.4615 S 0 0 0 0 0 3 0 0 0 0 0 0 1.7128 0.0563 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 1.3915 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -2.3955 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 -1.4385 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 -1.4316 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 0.8518 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 0.2666 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 -0.8848 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 1.6272 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.2654 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 1.2088 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 1 5 1 0 1 6 1 0 1 7 1 0 3 8 1 0 3 9 1 0 3 10 1 0 4 11 1 0 4 12 1 0 4 13 1 0 M CHG 1 2 1 M END