anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [217Po] [217Po] is the radioactive isotope of polonium with relative atomic mass 217.006253 and half-life of < 10 s. It is also related to or classified as polonium atom  .
The molecule C1=C[C@@H]([C@@H]([C@H]1NCC2=CN(C3=C2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)O is a nucleoside found in tRNA that has an additional cyclopentenyl ring added via an NH group to the methyl group of 7-methyl-7-deazaguanosine. The cyclopentenyl ring may carry other substituents.
The molecule COC1=C(C2=C(C=C[C@@H](O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC is a 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has S configuration. It has a role as an EC 1.5.1.3 (dihydrofolate reductase) inhibitor and an antibacterial drug. It is an enantiomer of a (R)-iclaprim.
The molecule C1=CC=C2C(=C1)C(C(=O)N2)(C3=NC=CS3)O is an oxindole that is indolin-2-one substituted at position 3 by thiazol-2-yl and hydroxy groups. It has a role as a metabolite. It is a member of 1,3-thiazoles, a tertiary alcohol and a member of oxindoles. It derives from an indolin-2-one.
The molecule CC(=O)CC(C)(C)S is an alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an alkanethiol and a methyl ketone.
The molecule N1N=C(N)C=C1CC N1N=C(N)C=C1CC is 3-Amino-5-ethyl-1H-pyrazole. It is also related to or classified as dicarboximide  . It is also related to or classified as heterocyclic compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a phosphatidylcholine 42:1 in which the acyl groups specified at positions 1 and 2 are tetracosanoyl and (9Z)-octadecenoyl respectively. It derives from an oleic acid and a tetracosanoic acid.
The molecule CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C is a carbamate ester obtained by formal condensation of the carboxy group of ethyl(methyl)carbamic acid with the phenolic OH group of 3-[(1S)-1-(dimethylamino)ethyl]phenol. A reversible cholinesterase inhibitor. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, a neuroprotective agent and a cholinergic drug. It is a carbamate ester and a tertiary amino compound. It is a conjugate base of a rivastigmine(1+).
The molecule [H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO [H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO is antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes. It has the role of anxiolytic drug . It has the role of EC 3.5.2.6 (beta-lactamase) inhibitor . It has the role of antibacterial drug . It has the role of bacterial metabolite . It is a conjugate acid of clavulanate . It is also related to or classified as oxapenam  .
The molecule CC1=CC(=CC(=O)N1)C(=O)C is a pyridone that is pyridin-2(1H)-one substituted by an acetyl group at position 4 and a methyl group at position 6. It is isolated from the fermentation broth of Streptomyces sp. KORDI-3238 and exhibits moderate cytotoxicity against a number of human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antimicrobial agent. It is a pyridone, a methyl ketone and an aromatic ketone.
The molecule N1([C@H](C(N)=O)CC)C(C[C@H](C1)CCC)=O N1([C@H](C(N)=O)CC)C(C[C@H](C1)CCC)=O is A non-proteinogenic amino acid derivative that is butanamide in which the pro-S hydrogen at position 2 is replaced by a (4R)-2-oxo-4-propylpyrrolidin-1-yl. Used for treatment of partial onset seizures related to epilepsy. It has the role of anticonvulsant . Its functional parent is L-alpha-aminobutyric acid . It is also related to or classified as gamma-lactam , non-proteinogenic amino acid derivative .
The molecule COCC(=O)CO is an O-alkylglycerone that consists of glycerone bearing a single O-methyl substituent. It derives from a dihydroxyacetone and an acetone.
The molecule Cl.O(C(=O)C=1C=C(CN)C=CC1)C Cl.O(C(=O)C=1C=C(CN)C=CC1)C is 3-Aminomethylbenzoic acid methyl ester hydrochloride. It is also related to or classified as benzoate ester .
The molecule CCCCCC#CC/C=C\\CCCCCCCC(=O)O is an octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. It is a conjugate acid of a crepenynate.
The molecule [C@@]12([C@](C(C=3C(C=4C(=CC=CC4[C@@](C3[C@@H]1O)(C)O)O)=O)=O)(C(C(C(N)=O)=C([C@H]2[NH+](C)C)[O-])=O)O)[H] [C@@]12([C@](C(C=3C(C=4C(=CC=CC4[C@@](C3[C@@H]1O)(C)O)O)=O)=O)(C(C(C(N)=O)=C([C@H]2[NH+](C)C)[O-])=O)O)[H] is A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of 5a,11a-dehydrooxytetracycline; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-] is an amino acid zwitterion of N(2)-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the epsilon-amino group; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a human metabolite. It is a tautomer of a N(2)-acetyl-L-ornithine.
The molecule O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC3=C(C2=O)C(OC)=CC(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)=C3)C5=CC(OC)=C(OC)C=C5)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO O([C@H]1C(O)[C@@H](O)C(O[C@H]1OC2=C(OC3=C(C2=O)C(OC)=CC(O[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C)=C3)C5=CC(OC)=C(OC)C=C5)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO is Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC(=CC(=C1)Cl)C[C@@H](C(=O)O)N is a non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which one of the meta-hydrogens of the phenyl group has been replaced by a chlorine. It is a chloroamino acid, a L-phenylalanine derivative, a non-proteinogenic L-alpha-amino acid and a member of monochlorobenzenes.
The molecule CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C is a carotenol. It has a role as a food colouring and a plant metabolite. It derives from a hydride of a (6'R)-beta,epsilon-carotene.
The molecule [C@H]1([C@@H]([C@H]([C@@H](CO1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)C(O)=O)O)O [C@H]1([C@@H]([C@H]([C@@H](CO1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)C(O)=O)O)O is A tetrasaccharide consisting of alternating D-glucuronic acid and D-xylosyl residues joined in sequence by (1->3)-linkages. A repeating unit in glycoprotein DAG1.  It is also related to or classified as tetrasaccharide  . It is also related to or classified as carbohydrate acid .
The molecule NC(=N)NCCCC1NC(=O)C2CCCN2C1=O NC(=N)NCCCC1NC(=O)C2CCCN2C1=O is A homodetic cyclic peptide resulting from the formal condensation of both the amino and acid groups of proline with the acid and amino groups of arginine. It is found in the deep-sea sponge Geodia barretti. It has the role of animal metabolite . It has the role of marine metabolite . Its functional parent is proline . Its functional parent is arginine .   It is also related to or classified as dipeptide  . It is also related to or classified as guanidines , homodetic cyclic peptide , pyrrolopyrazine .
The molecule CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=NC5=O)N)COP(=O)(O)O[C@@H]6[C@H](O[C@H]([C@@H]6O)N7C=NC8=C7N=C(NC8=O)N)COP(=O)(O)O[C@@H]9[C@H](O[C@H]([C@@H]9O)N1C=NC2=C1N=CNC2=O)CO)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)O)O is a tRNA oligonucleotide comprised of a sequence of one inosine, one guanosine, one cytidine, one 1-methylinosine and one uridine residue connected by 3'->5' phosphodiester linkages and with a phosphoric residue at the 3'-terminus..
The molecule CCCC(=O)SCC[N+](C)(C)C is a quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.
The molecule COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)[O-] is a phenyl sulfate oxoanion that is the conjugate base of eugenol sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a eugenol sulfate.
The molecule C[C@H](N)C(=O)c1ccccc1 C[C@H](N)C(=O)c1ccccc1 is the S stereoisomer of 2-aminopropiophenone. It has the role of central nervous system stimulant . It has the role of psychotropic drug . It is also related to or classified as 2-aminopropiophenone  . It is also related to or classified as monoamine alkaloid .
The molecule BrC1=CC=2NC=C(C[C@@H]([NH3+])C([O-])=O)C2C=C1 BrC1=CC=2NC=C(C[C@@H]([NH3+])C([O-])=O)C2C=C1 is bromotryptophan derivative present in Geodia Barretti. It is also related to or classified as organic molecular entity .
The molecule CSCCCCCC[C@@H](C(=O)[O-])[NH3+] is an L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tetrahomomethionine; major species at pH 7.3. It is a L-polyhomomethionine zwitterion and a tetrahomomethionine zwitterion. It is a tautomer of a L-tetrahomomethionine.
The molecule CCC(C)C(=O)O[C@H]1[C@H]2[C@H]([C@@H](C(=O)[C@H](C[C@@H](C[C@]1(C)O)O)C)OC(=O)/C(=C\\C)/C)C(=C)C(=O)O2 is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an antineoplastic agent. It is a diol, a secondary alcohol, a cyclic ketone, a tertiary alcohol, an enoate ester and a germacranolide.
The molecule C1CSCCSCCSCCS1 C1CSCCSCCSCCS1 is A crown thioether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by sulfur atoms. It is also related to or classified as saturated organic heteromonocyclic parent , crown thioether .
The molecule [203Po] [203Po] is the radioactive isotope of polonium with relative atomic mass 202.981413 and half-life of 36.7 min. It is also related to or classified as polonium atom  .
The molecule CC(CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C is a dolichyl diphosphooligosaccharide compound consisting of a branched tetradecasaccharide attached to the dolichyl chain via a diphosphate linkage. It has a role as a mouse metabolite.
The molecule C[N+](C)(C)\C=C\C1=CNC2=C1C=CC(Br)=C2 C[N+](C)(C)\C=C\C1=CNC2=C1C=CC(Br)=C2 is A bromoindole that is 1H-indole substituted by 2-(trimethylazaniumyl)ethenyl and bromo groups at positions 3 and 6, respectively. It is isolated from the marine sponge Geodia barretti. It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as indole alkaloid , bromoindole , olefinic compound .
The molecule C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+] is an organic sodium salt that is the disodium salt of bromosulfophthalein. It has a role as a dye. It contains a bromosulfophthalein(2-). It derives from a 2-benzofuran-1(3H)-one.
The molecule CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 is a homodetic cyclic peptide composed from leucyl and prolyl residues. It has a role as a marine metabolite and a bacterial metabolite. It is a dipeptide, a homodetic cyclic peptide and a pyrrolopyrazine.
The molecule [H]C1(OC(OCC2OC(OC3C(O)C(NC(=O)C)C(OC3CO)OC4C(O)C(O)C(OC4OCC5OC(OC6C(O)C(NC(=O)C)C(O)OC6CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(OC9OC(COC%10(OC([H])(C(O)C(O)CO)C(NC(=O)C)C(O)C%10)C(=O)[O-])C(O)C(O)C9O)C(O)C8NC(=O)C)C5O)CO)C(O)C(O)C2O)(C(=O)[O-])CC(O)C1NC(=O)C)C(O)C(O)CO [H]C1(OC(OCC2OC(OC3C(O)C(NC(=O)C)C(OC3CO)OC4C(O)C(O)C(OC4OCC5OC(OC6C(O)C(NC(=O)C)C(O)OC6CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(OC9OC(COC%10(OC([H])(C(O)C(O)CO)C(NC(=O)C)C(O)C%10)C(=O)[O-])C(O)C(O)C9O)C(O)C8NC(=O)C)C5O)CO)C(O)C(O)C2O)(C(=O)[O-])CC(O)C1NC(=O)C)C(O)C(O)CO is A branched glucosamine oligosaccharide obtained by deprotonation of the carboxy groups of alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule CC[C@H]1C[C@H](C(=O)/C=C/C(=C/[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O)C)O)CC)C)/C)C is a 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. It has a role as a metabolite. It is a macrolide, an enone and a diol.
The molecule [NH3+]CC(O)c1ccccc1 [NH3+]CC(O)c1ccccc1 is an  ammonium ion that is the conjugate acid of phenylethanolamine arising from protonation of the primary amino group; major species at pH 7.3. It has the role of human metabolite . It is a conjugate acid of phenylethanolamine . It is also related to or classified as ammonium ion derivative .
The molecule C(C(CC/C=C/C=C\[C@H](CCCC(O)=O)O)=O)/C=C\CCCCC C(C(CC/C=C/C=C\[C@H](CCCC(O)=O)O)=O)/C=C\CCCCC is A hydroxy polyunsaturated fatty acid that is (6Z,8E,14Z)-icosatrienoic acid carrying hydroxy and oxo substituents at positions 5 and 12 respectively. Its functional parent is leukotriene B4 . It is a conjugate acid of 10,11-dihydro-12-oxoleukotriene B4(1-) .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , oxo fatty acid , nonclassic icosanoid .
The molecule BrC1=CC=2NC=C(C(C3NC(=O)[C@@H](NC3=O)CCCNC(=N)N)O)C2C=C1 BrC1=CC=2NC=C(C(C3NC(=O)[C@@H](NC3=O)CCCNC(=N)N)O)C2C=C1 is aromatic heteropolycyclic compound present in Geodia barretti. It is also related to or classified as organic molecular entity .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O is a deoxyinosine phosphate compound having a triphosphate group at the 5'-position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a purine 2'-deoxyribonucleoside 5'-triphosphate and a deoxyinosine phosphate. It is a conjugate acid of a dITP(4-).
The molecule CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)O is a bisphenol (methylenediphenol) having hydroxy functions at C-3, C-4 and C-4', and gem-dimethyl groups on the methylene bridge. It derives from a bisphenol A.
The molecule O=C(NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4NC(=O)C)C(O)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6NC(=O)C)C2O)C1O)C O=C(NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4NC(=O)C)C(O)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(O)C6NC(=O)C)C2O)C1O)C is A branched glucosamine oligosaccharide in which two trisaccharide branches, each formed from beta-D-GlcNAc-(1->2)-alpha-D-Man, are linked (1->3) and (1->6) to Man-(1->4)-beta-D-GlcNAc disaccharide chain with beta-D-GlcNAc residue at the reducing end. It is also related to or classified as glucosamine oligosaccharide .
The molecule CC[C@H](C)C(=O)NC1=NC=C(N=C1CCC[NH+]=C(N)N)C2=CNC3=CC=CC=C32 is the conjugate acid of oxidized Cypridina luciferin arising from selective protonation of the guanidino group; major species at pH 7.3. It is a conjugate acid of an oxidized Cypridina luciferin.
The molecule C1=NC2=C(N1)C(=NC(=N2)N)NO is a 2,6-diaminopurine that is the N(6)-hydroxy derivative of 2,6-diamino-3H-purine. It has a role as a mutagen and a teratogenic agent. It is a member of 2,6-diaminopurines, a nucleobase analogue and a member of hydroxylamines. It derives from an adenine.
The molecule ClC1=CC=2C(=NC(C=3SC=C(N3)C=4N(C(=C(SC)C(C4OC)=O)C(=O)NCCO)C)=CC2)C=C1 ClC1=CC=2C(=NC(C=3SC=C(N3)C=4N(C(=C(SC)C(C4OC)=O)C(=O)NCCO)C)=CC2)C=C1 is Lodopyridone.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule C(C(=O)[O-])C(C[P+](=O)[O-])(C(=O)[O-])O is a dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino group of phosphinomethylmalic acid. It is a conjugate base of a 2-phosphinomethylmalic acid.
The molecule NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\C1=CNC2=C1C=CC(Br)=C2 NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\C1=CNC2=C1C=CC(Br)=C2 is natural compound belonging to the class of alpha amino acids and derivatives, found in Geodia barretti. It is also related to or classified as organic molecular entity .
The molecule C1[C@H](NC(=[NH+]1)N)[C@@H]([C@@H](C(=O)[O-])[NH3+])O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (3S)-3-hydroxy-L-enduracididine. It is a conjugate acid of a (3S)-3-hydroxy-L-enduracididine.
The molecule C[C@@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O is a tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. It has a role as a volatile oil component, a plant metabolite, an anaesthetic and a vasodilator agent. It is a sesquiterpenoid, a carbotricyclic compound, a tertiary alcohol and an olefinic compound.
The molecule C(/C=C/C(=O)O)C(=O)O is a pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5. It has a role as a human metabolite. It is a conjugate acid of a glutaconate(1-).
The molecule N1=C(C(=C(N1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)NCC(C)=C)[S@@+]([O-])C(F)(F)F)C#N N1=C(C(=C(N1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)NCC(C)=C)[S@@+]([O-])C(F)(F)F)C#N is A 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has R configuration at the sulfoxide. It is also related to or classified as 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile  .
The molecule C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](COP(=O)(O)O)O)O)O)O is a ketoaldonic acid phosphate that is 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid carrying a monophosohate substituent at position 9. It has a role as a bacterial metabolite. It is a carbohydrate acid derivative and a ketoaldonic acid phosphate. It is a conjugate acid of a 3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-).
The molecule [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O is A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as 20-oxo steroid .
The molecule CC(=O)N[C@@H](CC1=CN=CN1)C(=O)O is a histidine derivative that is L-histidine having an acetyl substituent on the alpha-nitrogen. It has a role as an animal metabolite. It is a L-histidine derivative, a N-acetylhistidine and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-histidinate.
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)[C@@H](O)CC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C is Epicoccin H. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C is a phosphatidylcholine 32:0 in which the acyl group specified at positions 1 and 2 are myristoyl and stearoyl respectively. It is a phosphatidylcholine 32:0 and a tetradecanoate ester. It derives from an octadecanoic acid.
The molecule CC(C)C[C@H](N)C([O-])=O CC(C)C[C@H](N)C([O-])=O is the L-enantiomer of leucinate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as leucinate  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule [C@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@]2(C)[C@]5([C@@H]([C@@]6(O[C@]5(C1)[H])NC[C@H](C)CC6)C)[H])[H])[H])[H] [C@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@]2(C)[C@]5([C@@H]([C@@]6(O[C@]5(C1)[H])NC[C@H](C)CC6)C)[H])[H])[H])[H] is an oxaspiro compound and steroid alkaloid sapogenin with formula C27H43NO2 found in the Solanum (nightshade) family. It is used as a precursor in the synthesis of complex steroidal compounds such as contraceptive pills. It has the role of antispermatogenic agent . It has the role of antioxidant . It has the role of antiinfective agent . It has the role of central nervous system depressant . It has the role of antipyretic . It has the role of diuretic . It has the role of anticonvulsant . It has the role of antifungal agent . It has the role of cardiotonic drug . It has the role of immunomodulator . It has the role of teratogenic agent . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as hemiaminal ether  . It is also related to or classified as sapogenin  . It is also related to or classified as steroid alkaloid , azaspiro compound , oxaspiro compound , alkaloid antibiotic .
The molecule C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O is a member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of benzoic acids, an organochlorine compound, an organofluorine compound, an aromatic ether, a monocarboxylic acid and a C-nitro compound.
The molecule CC(=C)C(=O)OCCOC(=O)C(C)=C CC(=C)C(=O)OCCOC(=O)C(C)=C is the enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. It has the role of cross-linking reagent . It has the role of allergen . It has the role of polymerisation monomer . Its functional parent is methacrylic acid . Its functional parent is ethylene glycol . It is also related to or classified as enoate ester  .
The molecule C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNC[C@@H](C2=CC(=C(C=C2)O)CO)O)Cl is an dichlorobenzene derivative that is used in the form of its trifenate salt for treatment of chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is an ether, a secondary amino compound, a member of benzyl alcohols, a member of phenols and a dichlorobenzene. It is a conjugate base of a vilanterol(1+).
The molecule [Ni++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O [Ni++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O is A hydrate that is the hexahydrate of nickel sulfate. It has the role of sensitiser . It is also related to or classified as hydrate .
The molecule NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O is deoxyamidinoproclavaminic acid. Its functional parent is proclavaminic acid .   It is also related to or classified as beta-lactam  . It is also related to or classified as guanidines , monocarboxylic acid , L-arginine derivative .
The molecule CC1=C2C(=NC=N1)N=CN2 is purine bearing a methyl substituent at position 6. It has a role as an EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor.