anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)[O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cyclic di-AMP; major species at pH 7.3. It is a conjugate base of a cyclic di-AMP.
The molecule C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)N is a polyether that consists of a poly(ethylene glycol) chain with an indol-3-yl-butanamido group at one end and a multifunctionalised alkyl group, in turn containing nitrofuran and amido moieties, at the other. It is a C-nitro compound, a member of furans, a member of indoles, a polyether and a monocarboxylic acid amide.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C)C CCCCCCCCCCCCCCCCCCCCCCCCC(C)C is 2-methylhexacosane. It has the role of animal metabolite . It is also related to or classified as organic molecular entity .
The molecule COC(=O)C(C1CCCCN1)C2=CC=CC=C2 is a amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. It is a member of piperidines, a methyl ester and a beta-amino acid ester.
The molecule CC(/C=C\\CC1C(CCC1=O)CC(=O)[O-])OS(=O)(=O)[O-] is a 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 11-sulfojasmonic acid. Major species at pH 7.3 It is a 5-oxo monocarboxylic acid anion and an organosulfate oxoanion.
The molecule FC1=CC2=C(NC(=CC2=O)C)C=C1 FC1=CC2=C(NC(=CC2=O)C)C=C1 is 6-Fluoro-2-methylquinolin-4-ol.  It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolone .
The molecule CCCCCCCCCCCCCCCCCCC(=O)O is a C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. It has a role as a fungal metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a nonadecanoate.
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](CO)[C@H]([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O is a glycosyl alditol that is D-galactitol in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding alpha-L-fucopyranosyl and alpha-D-galactopyranosyl derivatives, respectively.
The molecule [H]C(=C([H])C(OC)=C1C(=O)C=C(OC)C1=O)C=2C=CC=CC2 [H]C(=C([H])C(OC)=C1C(=O)C=C(OC)C1=O)C=2C=CC=CC2 is methyllucidone. It has the role of antioxidant . It is also related to or classified as chalcones  .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)CO)O)O)O)O is dianion of sucrose 6(F)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is a conjugate base of a sucrose 6(F)-phosphate.
The molecule CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O is an N-acetylmannosamine having pyranose form and alpha-D-configuration. It is also related to or classified as N-acetyl-D-mannosamine  .
The molecule SC=1NC(=O)N=CC1F SC=1NC(=O)N=CC1F is 5-Fluoro-4-thioxo-1,2,3,4-tetrahydropyrimidin-2-one. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule C1C2C(C=CC1(CC(O2)C(=O)[O-])C(=O)[O-])O is transition state of the chorismate mutase catalyzed Claisen rearrangement of chorismate to prephenate. It is a conjugate base of an 8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid.
The molecule O=C(O)CCC1N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C2N=C(O)CC2)CC=3C=CC=CC3)C(O)C)CC(=O)O)C(C)C)CC(=O)O)CSSCC(N=C1O)C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC4C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC5C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(=O)O)CCC(=N)O)CC6=CC=C(O)C=C6)CSSC5)CCCNC(=N)N)CCCCN)CCCCN)CCSC)CSSC4)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC=7C=CC=CC7)CC(C)C)CC(=O)O)CCCCN)C(C)C)CO)CC8=CNC=9C=CC=CC98)CO)C(C)C)CO)CCCCN O=C(O)CCC1N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C(N=C(O)C2N=C(O)CC2)CC=3C=CC=CC3)C(O)C)CC(=O)O)C(C)C)CC(=O)O)CSSCC(N=C1O)C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC4C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC(C(O)=NCC(O)=NC(C(O)=NC(C(O)=NC5C(O)=NC(C(O)=NC(C(O)=NC(C(O)=NC(C(=O)O)CCC(=N)O)CC6=CC=C(O)C=C6)CSSC5)CCCNC(=N)N)CCCCN)CCCCN)CCSC)CSSC4)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)CC=7C=CC=CC7)CC(C)C)CC(=O)O)CCCCN)C(C)C)CO)CC8=CNC=9C=CC=CC98)CO)C(C)C)CO)CCCCN is iberiotoxin. It has the role of toxin . It is also related to or classified as organic molecular entity .
The molecule C(CCC(=O)[O-])CC(=O)C(=O)[O-] is an oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxopimelic acid; major structure at pH 7.3. It derives from a pimelate(2-). It is a conjugate base of a 2-oxopimelic acid.
The molecule CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.O is a hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor. It contains a canagliflozin.
The molecule C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NCCNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCN)O is an oligopeptide composed of the tripeptide unit beta-alanyl-L-leucyl-L-alanyl which is connected via an aminoethyl spacer to the amino terminus of the pseudopeptide fragment N-{3-[(L-tryptophylamino)methyl]benzoyl}-L-leucyl-L-threonyl-L-valine. It has a role as a peptidomimetic.
The molecule CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O is A member of the class of guanidines that is used (as its trihydrate) for the treatment of acute uncomplicated influenza in patients 18 years and older who have been symptomatic for no more than two days. It has the role of antiviral drug . It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor . It is also related to or classified as acetamides , cyclopentanols , guanidines , 3-hydroxy monocarboxylic acid .
The molecule [O-]C(=O)CC(=O)\C=C(\Br)C([O-])=O [O-]C(=O)CC(=O)\C=C(\Br)C([O-])=O is 2-bromomaleylacetate. Its functional parent is maleylacetate . Its functional parent is hex-2-enedioate . It is also related to or classified as oxo dicarboxylate , bromocarboxylic acid anion .
The molecule [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC is the 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. It has the role of xenobiotic . It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . It has the role of environmental contaminant . It is also related to or classified as macrolide antibiotic .
The molecule C1=C(C=CC(=C1)CNC(N(C2CC[NH+](CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C C1=C(C=CC(=C1)CNC(N(C2CC[NH+](CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C is A piperidinium ion obtained by protonation of the piperidine nitrogen of pimavanserin. It is a conjugate acid of pimavanserin . It is also related to or classified as piperidinium ion .
The molecule C1=CC2=C(C=C1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC=C2C(=O)O is an indolyl carbohydrate that is 6-hydroxyindole-3-carboxylic acid in which the hydroxy group is substituted by a D-glucosyl residue. It has a role as a metabolite. It is an indolyl carbohydrate and a D-glucoside. It derives from an indole-3-carboxylic acid.
The molecule C(CCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)CCCCC(=O)OC[C@@H]([C@@H]2C(=C(C(=O)O2)O)O)O is a diester and a member of dicarboxylic acids and O-substituted derivatives. It has a role as a bolaamphiphile. It derives from a L-ascorbic acid and a dodecanedioic acid.
The molecule S(O)(=O)(=O)C=1C=2OC(=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)C(=O)C2C(O)=CC1O)C4=CC=CC=C4 S(O)(=O)(=O)C=1C=2OC(=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)C(=O)C2C(O)=CC1O)C4=CC=CC=C4 is 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent, a plant metabolite and a phytoalexin. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan.
The molecule FC(F)(F)C1=C(C(F)=NC=C1)C(O)=O FC(F)(F)C1=C(C(F)=NC=C1)C(O)=O is 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C(CS)C(=O)O is a mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. It has a role as an algal metabolite. It is a conjugate acid of a 3-mercaptopropionate.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a glycosylrhamnose consisting of alpha-L-rhamnose having an alpha-D-glucosyl residue attached at the 3-position. It has a role as an epitope.
The molecule C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)C)C is a triterpenoid saponin isolated from the sponge Melophlus sarasinorum and has been shown to exhibit antimicrobial activity. It has a role as an antimicrobial agent and a marine metabolite. It is an amino pentasaccharide, a triterpenoid saponin and a tetracyclic triterpenoid.
The molecule CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C is a cyclosporin A derivative that is cyclosporin A in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has undergone allylic oxidation to give the corresponding primary allylic alcohol, and in which residue 9 (N-methylleucine) has undergone oxidation so as to introduce a hydroxy group at the carbon bearing the two methyl groups. It has a role as a drug metabolite. It is a cyclosporin A derivative, a tertiary alcohol and a primary allylic alcohol. It derives from a cyclosporin A metabolite M1 and a cyclosporin A metabolite M17.
The molecule C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5CC[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of deoxycholic acid. It derives from a coenzyme A and a deoxycholic acid. It is a conjugate acid of a deoxycholoyl-CoA(4-).
The molecule O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C is Rubrumazine B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule FC1=CC=C(C=C1)C#N FC1=CC=C(C=C1)C#N is 4-Fluorobenzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O is a galactopyranose having D-configuration. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a D-galactose and a galactopyranose.
The molecule CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/CC/C=C(\\C)/CCCC(C)(C)O)/C)/C)/C)C is a carotenol obtained by formal hydration across the double bonds a position 1 of neurosporene. It has a role as a bacterial metabolite. It is a carotenol and a tertiary alcohol. It derives from a neurosporene.
The molecule CC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O is an aminopyrimidine that is pyrimidin-4-amine substituted by a methyl group at position 2 and a diphosphooxymethyl group at position 5. It has a role as an Escherichia coli metabolite. It is an aminopyrimidine and an alkyl diphosphate. It is a conjugate acid of a 4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3-).
The molecule C[NH2+][C@@H](CC1=CN=CN1)C(=O)[O-] is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(alpha)-methyl-L-histidine. It is a tautomer of a N(alpha)-methyl-L-histidine.
The molecule C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C C1=C(C=CC(=C1)CNC(N(C2CCN(CC2)C)CC3=CC=C(C=C3)F)=O)OCC(C)C is A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. It has the role of 5-hydroxytryptamine 2A receptor inverse agonist . It has the role of antipsychotic agent . It has the role of serotonergic antagonist .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , aromatic ether , ureas , tertiary amino compound .
The molecule N#CC=1C=C(CC)C=CC1 N#CC=1C=C(CC)C=CC1 is 3-Ethylbenzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O is a hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group. It has a role as an anticoagulant and an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor.
The molecule N[C@@H](Cc1cc(\N=C\Cc2ccccc2)c(O)cc1O)C(O)=O N[C@@H](Cc1cc(\N=C\Cc2ccccc2)c(O)cc1O)C(O)=O is an imine that is L-tyrosine bearing an additional hydroxy substituent at position 2 as well as a (2-phenylethylidene)amino substituent at position 5. It has the role of metabolite . Its functional parent is 2-phenylethylamine . It is also related to or classified as imine  . It is also related to or classified as L-tyrosine derivative , non-proteinogenic L-alpha-amino acid .
The molecule CCN1C[C@@]2(CC[C@@H](C34[C@@H]2C[C@@H](C31)[C@@]5(CC[C@@H]6C[C@@H]4[C@@H]5C(=O)O6)OC(=O)C)OC)C is a diterpene alkaloid isolated from the roots of Delphinium denudatum that exhibits antifungal activity. It has a role as an antifungal agent. It is a delta-lactone, an ether, an acetate ester, a bridged compound, a tertiary amine and a diterpene alkaloid.
The molecule S(C=1N=CC=CC1C(O)=O)CC S(C=1N=CC=CC1C(O)=O)CC is 2-(Ethylthio)nicotinic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule [215Po] [215Po] is the radioactive isotope of polonium with relative atomic mass 214.999415 and half-life of 1.781 ms. It is also related to or classified as polonium atom  .
The molecule CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCC2=CC=CC=C2)O)O is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 8-phenyloctanoyl group attached to the nitrogen. It derives from an alpha-D-galactose.
The molecule C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O is the amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid. It has a role as a coenzyme. It is a member of pyrimidoquinolines and a ribitol phosphate. It derives from a 7,8-didemethyl-8-hydroxy-5-deazariboflavin. It is a conjugate acid of a coenzyme gamma-F420-2(5-) and a coenzyme gamma-F420-2(4-).
The molecule C[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O C[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O is an optically active tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as an (R)-2-hydroxypropyl group at position 10. It is also related to or classified as H3HP-DO3A  .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,3-diglyceride in which both acyl groups are specified as linoleoyl. It is a 1,3-diglyceride and a dilinoleoylglycerol. It derives from a linoleic acid.
The molecule ClC=1SC(=C(N1)C)C(OCC)=O ClC=1SC(=C(N1)C)C(OCC)=O is Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate. It is also related to or classified as aromatic carboxylic acid , thiazoles .
The molecule [O-][As]=O.[Na+] is an inoganic sodium salt with formula with formula NaAsO2. It has a role as an insecticide, an antibacterial agent, a herbicide, a rodenticide, a carcinogenic agent, an antineoplastic agent and an antifungal agent. It is an arsenic molecular entity and an inorganic sodium salt.
The molecule CCCCCCCCCC/C=C\\CCCCCCCCCC(=O)O is a docosenoic acid having a cis-double bond at position 11. It has a role as a Daphnia tenebrosa metabolite. It is a conjugate acid of a cetoleate.
The molecule C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O is tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has a role as an antibacterial drug and an antimalarial.
The molecule C1(CCCCCCCCCCC2C(CCCCCCCCCCCCCCC[C@@H](O)C(C(OC[C@H]3O[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COP(O)(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)C2)C(C1)CCCCCCCCCCCCCCCCCC C1(CCCCCCCCCCC2C(CCCCCCCCCCCCCCC[C@@H](O)C(C(OC[C@H]3O[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COP(O)(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)C2)C(C1)CCCCCCCCCCCCCCCCCC is A trehalose monomycolate that is alpha,alpha-trehalose 6-phosphate carrying an additional mycolyl substituent at position 6'. It is also related to or classified as trehalose phosphate , trehalose monomycolate , monoacyl alpha,alpha-trehalose .
The molecule FC1=CC=C(F)C(=C1)COC2=CC=C(OC3=CC=C(OCC)C=C3N)C=C2 FC1=CC=C(F)C(=C1)COC2=CC=C(OC3=CC=C(OCC)C=C3N)C=C2 is SEA0400. It has the role of inhibitor . It is also related to or classified as organic molecular entity .
The molecule CCCCNC(=O)[C@H](C)NC(=O)[C@@H](C1=CC=C(C=C1)O)N is a dipeptide consisting of N-butyl-L-alaninamide having an (R)-2-amino-2-(4-hydroxyphenyl)acetyl residue attached to its alpha-amino nitrogen. It is a dipeptide and a L-alanine derivative.
The molecule CCCCCCCCCCCCN1C[C@@H](OC[C@H]1C)C is a 4-dodecyl-2,5-dimethylmorpholine in which the stereocentre adjacent to the oxygen has S configuration, whilst that adjacent to the nitrogen has R configuration. It is an enantiomer of a (2R,5S)-4-dodecyl-2,5-dimethylmorpholine.
The molecule S1C2=C(NC=NC2=O)C=C1 S1C2=C(NC=NC2=O)C=C1 is 1,4-Dihydrothieno[3,2-d]pyrimidin-4-one. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule [214Po] [214Po] is the radioactive isotope of polonium with relative atomic mass 213.995186 and half-life of 164.3 mus. It is also related to or classified as polonium atom  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCC2=CC=CC=C2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is a glycodihydroceramide having a 6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen; a C6"-modified alpha-GalCer derivative. It has a role as an epitope. It derives from an alpha-D-galactose.
The molecule CC(O)CN1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O CC(O)CN1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid (HP-DO3A). It is also related to or classified as tricarboxylic acid trianion .
The molecule CCCC1=CC(=C(C(=C1)OC)O)CC2=C(C(=CC(=C2)CCC)OC)O is a diarylmethane that is diphenylmethane substituted by hydroxy group at positions 2 and 2', methoxy groups st positions 3 and 3', and propyl groups at positions 5 and 5' respectively. It is a diarylmethane and a member of guaiacols. It derives from a hydride of a diphenylmethane.
The molecule C[C@]12CC[C@H](C1(C)C)C[C@H]2OP(=O)([O-])OP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (-)-bornyl diphosphate; major species at pH 7.3. It is a conjugate base of a (-)-bornyl diphosphate.
The molecule C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O is a dimeric benzoate ester obtained by intermolecular condensation between the carboxy of one molecule of salicylic acid with the phenol group of a second. It is a prodrug for salycylic acid that is used for treatment of rheumatoid arthritis and osteoarthritis and also shows activity against type II diabetes. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a hypoglycemic agent, an antineoplastic agent, an EC 3.5.2.6 (beta-lactamase) inhibitor and a prodrug. It is a benzoate ester, a member of benzoic acids, a member of phenols and a member of salicylates. It derives from a salicylic acid.
The molecule FC=1C=2NC(=CC(=O)C2C=C(F)C1)C FC=1C=2NC(=CC(=O)C2C=C(F)C1)C is 6,8-Difluoro-2-methylquinolin-4-ol.  It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolone .
The molecule C1C2=C(CCC1)C(N(C2=O)C=3C=CC(=CC3)Cl)=O C1C2=C(CCC1)C(N(C2=O)C=3C=CC(=CC3)Cl)=O is A member of the class of phthalimides that is 4,5,6,7-tetrahydrophthalimide in which the nitrogen has been substituted by a p-chlorophenyl group. It is used as a herbicide. It has the role of herbicide . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor .  It is also related to or classified as phthalimides  . It is also related to or classified as maleimides , monochlorobenzenes .
The molecule C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3', 4' and 7. It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. It has a role as an antioxidant, a protective agent and a metabolite. It is a trihydroxyflavanone and a member of 4'-hydroxyflavanones.