Mrv1652303082006202D 10 9 0 0 0 0 999 V2000 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M CHG 1 9 -1 M END > NP0339804 > NP-MRD > CSCCCC(=O)C([O-])=O > InChI=1S/C6H10O3S/c1-10-4-2-3-5(7)6(8)9/h2-4H2,1H3,(H,8,9)/p-1 > MPJMAJLPWRBNBU-UHFFFAOYSA-M > C6H9O3S > 161.2 > 161.027788904 > 3 > 19 > 15.896227706680309 > 1 > 0 > -1 > 0 > 5-(methylsulfanyl)-2-oxopentanoate > 1.13 > 1.4126784546666666 > -1.75 > 0 > 0 > -1 > 3.4371643752082464 > -9.657310759434493 > 57.199999999999996 > 50.663000000000004 > 5 > 1 > 3.21e+00 g/l > 5-methylthio-2-oxopentanoate > 0 > NP0339804 > 2-oxo-5-methylthiopentanoate $$$$