Mrv0541 02231216502D 10 10 0 0 1 0 999 V2000 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 0 0 0 0 M END > DB03297 > drugbank > O[S@@](=O)CC1=CC=CC=C1 > InChI=1S/C7H8O2S/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9) > InChIKey=NVSONFIVLCXXDH-UHFFFAOYSA-N > 2 > 15.392395996326925 > 1 > 1 > 156.02450019 > 0 > C7H8O2S > 0 > (R)-phenylmethanesulfinic acid > 0.64 > 1.1752000000000002 > -1.27 > 156.202 > 0 > 1 > -1 > 0.08822066007300577 > 37.3 > 40.238600000000005 > 2 > 1 > 8.47e+00 g/l > benzylsulfinic acid > 1 > DB03297 > experimental > Benzylsulfinic Acid $$$$