1054 -OEChem-10051719093D 23 23 0 0 0 0 0 0 0999 V2000 1.6380 1.8421 -0.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 2.4034 0.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -1.2315 -0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.6957 0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 0.5362 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -0.6945 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 0.6523 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -0.4833 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.7320 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -0.8770 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 -1.7698 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 -0.4142 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 2.4332 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 1.4778 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5968 -1.6880 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 0.0051 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 -2.7569 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7142 0.2850 0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -1.3946 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 -0.1121 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 1.7639 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 3.1781 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 -1.8980 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END > DB00165 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LXNHXLLTXMVWPM-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(O)C(CO)=C(CO)C=N1 > InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 > LXNHXLLTXMVWPM-UHFFFAOYSA-N > C8H11NO3 > 169.1778 > 169.073893223 > 4 > 23 > 0.03303610474091776 > 17.112304740817216 > 1 > 3 > 0 > 0 > 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol > -0.57 > -0.9513212983333332 > -1.02 > 0 > 0 > 1 > 0 > 14.533140285427315 > 9.397430003835803 > 5.584997111043129 > 73.58000000000001 > 44.1053 > 2 > 1 > 1.61e+01 g/l > biotin > 0 $$$$