ID;formula;mass;molmass;kegg;name;smiles;description
1018;C2H8AsNO3;168.97201;169.012;C07279;2-Aminoethylarsonate;NCC[As](O)(O)=O;
1390;C8H8O2;136.05243;136.148;C06224;3,4-Dihydroxystyrene;Oc1ccc(C=C)cc1O;
1456;C3H9NO2;91.06333;91.109;C06057;3-aminopropane-1,2-diol;NC[C@H](O)CO;
1549;C3H5O3R;89.02387;89.07;C03834;3-hydroxymonocarboxylic acid;OC([*])CC(O)=O;
1894;C5H11NO;101.08406;101.147;C10974;4-Methylaminobutanal;CNCCCC=O;
1932;C6H6NR;92.05002;92.119;C03084;4-Substituted aniline;Nc1ccc([*])cc1;
1997;C6H6Cl2;147.98466;149.018;C11352;5,6-Dichloro-1,3-cyclohexadiene;ClC1C=CC=CC1Cl;
10561;C8H15N;125.12045;125.212;C10138;gamma-Coniceine;CCCC1=NCCCC1;
16750;C10H13N5O5;283.0917;283.2409;C00387;guanosine;Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
35485;C10H13N5O5;283.0917;283.2409;NA;adenosine 1-oxide;Nc1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1=O;
40304;C10H13N5O5;283.0917;283.2407;NA;8-hydroxy-2'-deoxyguanosine;Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(O)nc2c(=O)[nH]1;Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.
64679;C9H18NO11P;347.0618;347.2131;NA;O-(alpha-D-mannose-1-phosphoryl)-L-serine;N[C@@H](COP(O)(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O;A mannose phosphate in which in which the phosphate group of alpha-D-mannose 1-phosphate is esterified by the alcoholic hydroxy group of L-serine.
15939;C42H62O16;822.4038;822.9321;C02284;glycyrrhizinic acid;[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O;A  triterpenoid saponin that is the  glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.
