220010 -OEChem-10051719553D 16 15 0 1 0 0 0 0 0999 V2000 1.2839 -1.3108 0.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 1.3136 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 -0.0794 -0.3220 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6921 0.0680 0.3138 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6339 1.0606 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -1.0519 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -0.0930 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.0619 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 1.1074 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 2.0274 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 0.8963 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -0.8623 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 -1.1040 -1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.0256 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -2.0310 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 1.3259 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END > DB02418 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OWBTYPJTUOEWEK-ZXZARUISSA-N/SDF?record_type=3d > C[C@@H](O)[C@H](C)O > InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+ > OWBTYPJTUOEWEK-ZXZARUISSA-N > C4H10O2 > 90.121 > 90.068079564 > 2 > 16 > -6.152423947260914e-08 > 9.827093542014598 > 1 > 2 > 0 > 0 > (2R,3S)-butane-2,3-diol > -0.59 > -0.37552903133333315 > 0.83 > 0 > 0 > 0 > 0 > 15.678062098346834 > 14.224481598439644 > -3.006341228739074 > 40.46 > 23.391199999999998 > 1 > 1 > 6.03e+02 g/l > biotin > 0 $$$$