anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(N)=O CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(N)=O is an oligopeptide comprising of (4S)-1-methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid, L-histidine and L-prolinamide joined in sequence by peptide linkages. It is a thyrotropin-releasing hormone (TRH) analog. Its tetrahydrate form is approved in Japan for the treatment of spinal muscular atrophy. It has the role of analgesic . It has the role of neuroprotective agent . It has the role of nootropic agent . It is also related to or classified as oligopeptide  .
The molecule C(CC(=O)O)C(=O)O is an alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. It has a role as a nutraceutical, a radiation protective agent, an anti-ulcer drug, a micronutrient and a fundamental metabolite. It is an alpha,omega-dicarboxylic acid and a C4-dicarboxylic acid. It is a conjugate acid of a succinate(1-).
The molecule OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1 OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1 is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin. It has the role of plant metabolite . Its functional parent is gallic acid . Its functional parent is (+)-gallocatechin . It is also related to or classified as catechin  . It is also related to or classified as polyphenol , gallate ester .
The molecule C1CCC(C1)C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@H]3CO)S(=O)(=O)C5=CC=CC=C5 C1CCC(C1)C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@H]3CO)S(=O)(=O)C5=CC=CC=C5 is [(8S,9S,10R)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O=C1C(C2=C(N1)C=CC=C2)(C3=CC=C(C=C3)OC(C)=O)C4=CC=C(C=C4)OC(C)=O O=C1C(C2=C(N1)C=CC=C2)(C3=CC=C(C=C3)OC(C)=O)C4=CC=C(C=C4)OC(C)=O is oxyphenisatine acetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CCCCCCCC/C=C\\CCCCCCCCC/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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,13Z)-docosadienoic acid. It is a long-chain fatty acyl-CoA, an unsaturated fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is a conjugate acid of a (2E,13Z)-docosadienoyl-CoA(4-).
The molecule C1NCNCN1 C1NCNCN1 is 1,3,5-triazinane. It is also related to or classified as triazinane  . It is also related to or classified as 1,3,5-triazinanes .
The molecule [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1 [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC([O-])=O)=CC=C1 is A monocarboxylic acid anion that is conjugate base of beraprost, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC is a member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias. It has a role as an anti-arrhythmia drug, an environmental contaminant and a xenobiotic. It is a member of 1-benzofurans, a tertiary amino compound, a sulfonamide, an aromatic ketone and an aromatic ether.
The molecule [I-].[H]C(=C([H])c1cc[n+](CC)cc1)c1ccc(cc1)N(C)C [I-].[H]C(=C([H])c1cc[n+](CC)cc1)c1ccc(cc1)N(C)C is 4-(4-dimethylaminostyryl)-1-ethylpyridinium iodide. It is also related to or classified as cyanine dye , organic iodide salt .
The molecule C1CC(C1)C(=O)NC[C@@H]2[C@H]([C@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4 C1CC(C1)C(=O)NC[C@@H]2[C@H]([C@H](N2C(=O)CC3=CC=NC=C3)CO)C4=CC=CC=C4 is N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1 [H][C@]12C[C@@H](O)[C@]([H])(\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1 is an organic heterotricyclic compound that is (3aS,8bS)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan in which the hydrogens at positions 1R, 2R and 5 are replaced by (3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl, hydroxy and 3-carboxypropyl groups, respectively. It is a prostaglandin receptor agonist which is approved to treat pulmonary arterial hypertension in Asia. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of platelet aggregation inhibitor . It has the role of prostaglandin receptor agonist . It has the role of anti-inflammatory agent . It is a conjugate acid of beraprost(1-) . It is also related to or classified as secondary allylic alcohol  .    It is also related to or classified as secondary alcohol  . It is also related to or classified as monocarboxylic acid , organic heterotricyclic compound , enyne .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC/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,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA.
The molecule OC(CS([O-])(=O)=O)C([O-])=O OC(CS([O-])(=O)=O)C([O-])=O is an organosulfonate oxoanion arising from deprotonation of the sulfo and carboxy groups of 3-sulfolactic acid. It is also related to or classified as alkanesulfonate oxoanion  . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule C1CC(C1)CN(C[C@H]2[C@H]([C@H](N2)CO)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F C1CC(C1)CN(C[C@H]2[C@H]([C@H](N2)CO)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F is N-(cyclobutylmethyl)-4-fluoro-N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=[NH2+])C=C2)C=C1 CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=[NH2+])C=C2)C=C1 is A guanidinium ion resulting from the protonation of the guanidyl group of camostat. Major microspecies at pH 7.3. It is a conjugate acid of camostat . It is also related to or classified as guanidinium ion  .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCC is a fatty acid ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of oleic acid. It has a role as a human metabolite. It derives from a butan-1-ol and an oleic acid.
The molecule CC(C)C1=CC=C(O)C=C1 CC(C)C1=CC=C(O)C=C1 is A member of the class of phenols that is phenol which is carrying an isopropyl group at position 4. It has the role of flavouring agent . It is also related to or classified as phenols  .
The molecule CN1CCCN(CC1)C1=NC2=C(C=C1)C(=O)C(C(=O)NCC1=CN=C(C)C=N1)=C1SC3=C(C=CC=C3)N21 CN1CCCN(CC1)C1=NC2=C(C=C1)C(=O)C(C(=O)NCC1=CN=C(C)C=N1)=C1SC3=C(C=CC=C3)N21 is an organic heterotetracyclic compound that is 5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid substituted by a 4-methyl-1,4-diazepan-1-yl group at position 2 and in which the carboxy group at position 6 is substituted by a [(5-methylpyrazin-2-yl)methyl]nitrilo group. An inhibitor of ribosomal RNA (rRNA) synthesis which specifically inhibits RNA polymerase I-driven transcription of rRNA in several cancer cell lines. It is currently in phase I/II clinical trials for advanced hematologic malignancies and triple-negative breast cancer with BRCA1/2 mutation. It has the role of antineoplastic agent . It has the role of EC 2.7.7.6 (RNA polymerase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as organic heterotetracyclic compound , pyrazines , diazepine , naphthyridine derivative .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N[C@@H]2CO)CN(C(C)C)C(=O)C3CCC3 CC=CC1=CC=C(C=C1)[C@H]2[C@H](N[C@@H]2CO)CN(C(C)C)C(=O)C3CCC3 is LSM-40107. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1 CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1 is A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. It has the role of anticoronaviral agent . It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of antifibrinolytic drug . It has the role of serine protease inhibitor . It has the role of anti-inflammatory agent . Its functional parent is 4-guanidinobenzoic acid . It is also related to or classified as tertiary carboxamide  .   It is also related to or classified as diester  . It is also related to or classified as carboxylic ester  . It is also related to or classified as guanidines , benzoate ester .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sphingomyelin d18:1 in which the ceramide N-acyl group is specified as lignoceroyl (tetracosanoyl). It has a role as a mouse metabolite. It is a sphingomyelin 42:1 and a sphingomyelin d18:1. It derives from a tetracosanoic acid.
The molecule O=C(NCCC1=CC(O)=C(O)C=C1)CCCCCCC/C=C\C/C=C\CCCCC O=C(NCCC1=CC(O)=C(O)C=C1)CCCCCCC/C=C\C/C=C\CCCCC is N-linoleoyl dopamine. Its functional parent is dopamine . It is also related to or classified as carboxamide  .
The molecule C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C3=CSC(=N3)N)=O)(SCC1C)[H] C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C3=CSC(=N3)N)=O)(SCC1C)[H] is A cephalosporin compound having methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups; a cephalosporin antibiotic active against Neisseria gonorrhoeae. It is also related to or classified as cephalosporin  .
The molecule CC(C)(C1=CC=C(O)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1 CC(C)(C1=CC=C(O)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1 is an aryl sulfate that is bisphenol A in which of the hydroxy groups is substituted by a sulfooxy group. It is a metabolite of bisphenol A that is excreted in human urine. It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . Its functional parent is bisphenol A . It is a conjugate acid of bisphenol A sulfate(1-) . It is also related to or classified as phenols  . It is also related to or classified as aryl sulfate .
The molecule CC(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-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC=C)O is tetraanion of vinylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is a conjugate base of a vinylacetyl-CoA.
The molecule CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 is A glycopeptide that is vancomycin lacking the vancoaminyl residue. It has the role of antimicrobial agent . It has the role of bacterial metabolite . Its functional parent is vancomycin aglycone . It is also related to or classified as glycopeptide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , polyphenol , cyclic ether , monosaccharide derivative .
The molecule OS(=O)(=O)OC1=CC=C2C=CC=CC2=C1 OS(=O)(=O)OC1=CC=C2C=CC=CC2=C1 is an aryl sulfate that is naphthalene in which the hydrogen at position 2 is replaced by a sulfooxy group. Its functional parent is 2-naphthol . It is a conjugate acid of 2-naphthyl sulfate(1-) . It is also related to or classified as naphthalenes , aryl sulfate .
The molecule COCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4CCCCC4 COCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4CCCCC4 is (6R,7S,8S)-4-[cyclohexyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C(CC)N1[C@]2([C@@](CC3=C(C2)C=CC=C3O)(C[C@@H](C1)NS(N(CC)CC)(=O)=O)[H])[H] C(CC)N1[C@]2([C@@](CC3=C(C2)C=CC=C3O)(C[C@@H](C1)NS(N(CC)CC)(=O)=O)[H])[H] is quinagolide. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .
The molecule C1=CC(=CC=C1/C=C/2\\C(=C(C(=O)O2)C3=CC=C(C=C3)O)[O-])O is an organic anion that is the conjugate base of isoaspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3. It is a conjugate base of an isoaspulvinone E.
The molecule [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@H](CO)[C@@]6([H])O[C@H](O[C@H]7[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]7O[C@H]7[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]7OCCCN)[C@H](O)CO)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]6O)O[C@]([H])([C@H](O)CO)[C@H]5O)O[C@]([H])([C@H](O)CO)[C@H]4O)O[C@]([H])([C@H](O)CO)[C@H]3O)O[C@]([H])([C@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@H](CO)[C@@]6([H])O[C@H](O[C@H]7[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]7O[C@H]7[C@@H](O)[C@H](O)[C@]([H])(O[C@@H]7OCCCN)[C@H](O)CO)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]6O)O[C@]([H])([C@H](O)CO)[C@H]5O)O[C@]([H])([C@H](O)CO)[C@H]4O)O[C@]([H])([C@H](O)CO)[C@H]3O)O[C@]([H])([C@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO is A linear synthetic octasaccharide derivative consisting of eight D-glycero-alpha-D-manno-heptopyranose residue linked in sequence (1->3), (1->3), (1->3), (1->3), (1->6),(1->2), (1->2). An aminopropyl linker at the reducing end enables printing onto microscope slides.  One of a series of substructures of the Helicobacter pylori O6 O-antigen tridecasaccharide O-antigen used for its immunological evaluation. Its functional parent is alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->3)-alpha-DD-Hep-(1->6)-alpha-DD-Hep-(1->2)-alpha-DD-Hep-(1->2)-alpha-DD-Hep-O[CH2]3NH2 . It is also related to or classified as glycoside  . It is also related to or classified as octasaccharide derivative .
The molecule O1C(C(C(C1)CC2=CC(OC)=C(O)C(OC)=C2)COC3OCC(O)C(O)C3O)C4=CC(OC)=C(O)C(OC)=C4 O1C(C(C(C1)CC2=CC(OC)=C(O)C(OC)=C2)COC3OCC(O)C(O)C3O)C4=CC(OC)=C(O)C(OC)=C4 is Prupaside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 is A quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine. It is also related to or classified as quaternary ammonium ion  .
The molecule CC(C)C1=CC=C(OS([O-])(=O)=O)C=C1 CC(C)C1=CC=C(OS([O-])(=O)=O)C=C1 is A phenyl sulfate oxoanion that is the conjugate base of 4-isopropylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule C1=C(C(=CC(=C1O)O)O)CCN is a benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). It has a role as a neurotoxin, a human metabolite and a drug metabolite. It is a primary amino compound, a benzenetriol and a catecholamine. It derives from a dopamine.
The molecule N[C@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O N[C@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O is A 7-chlorotryptophan in which the chiral centre has D- (R-) configuration. It is also related to or classified as D-alpha-amino acid  .  It is also related to or classified as 7-chlorotryptophan  . It is also related to or classified as D-tryptophan derivative .
The molecule [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O is the dianion of 1D-myo-inositol 3-phosphate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an inositol phosphate oxoanion and a myo-inositol phosphate(2-). It is a conjugate base of a 1D-myo-inositol 3-phosphate.
The molecule CC(C)(C1=CC=C(O)C=C1)C1=CC=C(OS([O-])(=O)=O)C=C1 CC(C)(C1=CC=C(O)C=C1)C1=CC=C(OS([O-])(=O)=O)C=C1 is A phenyl sulfate oxoanion that is the conjugate base of bisphenol A sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as phenyl sulfate oxoanion  .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CCOS(C)(=O)=O)(=O)N1CCN(CC1)C(CCOS(C)(=O)=O)=O C(CCOS(C)(=O)=O)(=O)N1CCN(CC1)C(CCOS(C)(=O)=O)=O is piposulfan. It is also related to or classified as methanesulfonate ester  . It is also related to or classified as N-acylpiperazine .
The molecule S([C@@]1(NC(=O)[C@H](SC)NC1=O)CC2=CC=C(OCC=C(C)C)C=C2)C S([C@@]1(NC(=O)[C@H](SC)NC1=O)CC2=CC=C(OCC=C(C)C)C=C2)C is Sch 54794. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CC2=CN(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CCC(=O)N)C(=O)O is a dipeptide consisting of L-histidine substituted on the alpha and tele (tele) nitrogens by 2,4-dinitrophenyl groups and connected to L-glutamine via a peptide bond. It contains a 2,4-dinitrophenyl group.
The molecule C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)N C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)C=CC(=C1)N is A secondary carboxamide resulting from the formal condensation of the amino group of (1R,2R)-2-amino-1-(4-aminophenyl)propane-1,3-diol with the carboxy group of dichloroacetic acid. It is an intermediate used in the biosynthesis pathway of the antibiotic, chloramphenicol. It has the role of prodrug . It is also related to or classified as secondary carboxamide  . It is also related to or classified as diol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as substituted aniline .
The molecule Cc1cc(=O)n(-c2ccccc2)n1C Cc1cc(=O)n(-c2ccccc2)n1C is A  pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of xenobiotic . It has the role of cyclooxygenase 3 inhibitor . It has the role of environmental contaminant . It is also related to or classified as pyrazolone .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCC/C=C/C(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-9-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a 4-O-(1H-indol-3-ylcarbonyl)ascaroside and an omega-hydroxy fatty acid ascaroside. It derives from a (2E)-9-hydroxynon-2-enoic acid and an oscr#3.
The molecule C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 C[NH2+][C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C([O-])=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of devancoaminyl vancomycin. It is also related to or classified as peptide zwitterion .
The molecule C[C@H]1[C@@H]2C[C@@]2(C[C@H]1O)C(C)C is a thujane monoterpenoid in which which a (1R,4S,5S)-thujane skeleton is substituted at C-3 with a hydroxy group, with the new asymmetric centre at C-3 having R-configuration. It is a thujane monoterpenoid and a secondary alcohol.
The molecule OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O is an anthocyanin cation that is cyanidin(1+) carrying two beta-D-glucosyl residues at positions 3 and 5. It has the role of plant metabolite . Its functional parent is cyanidin cation . It is a conjugate acid of cyanin betaine . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as anthocyanin cation  .
The molecule C1=C(NC(=O)C(=C1O)CCC(=O)C(=O)O)C(=O)O is a pyridone that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxopropyl group at position 5. It is an oxo dicarboxylic acid, a pyridone and a monohydroxypyridine. It is a conjugate acid of a 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate.
The molecule [O-]S(=O)(=O)OC1=CC=C2C=CC=CC2=C1 [O-]S(=O)(=O)OC1=CC=C2C=CC=CC2=C1 is an aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 2-naphthyl sulfate . The major microspecies at pH 7.3. It is also related to or classified as aryl sulfate oxoanion  .
The molecule COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)Br is (6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [C@H](C(N1C2=CC=CC=C2SC3=C1C=CC=C3)=O)([N+]4(CCCC4)C)C [C@H](C(N1C2=CC=CC=C2SC3=C1C=CC=C3)=O)([N+]4(CCCC4)C)C is A 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium that has S-configuration. It is also related to or classified as 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium  .
The molecule [H]C(C=C([H])C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S(O)(=O)=O [H]C(C=C([H])C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S(O)(=O)=O is an iminium betaine derived from a Cy5 dye.  It is also related to or classified as Cy5 dye  . It is also related to or classified as iminium betaine .
The molecule CC(=CCC/C(=C/CCC1C(O1)(C)C)/C)C is an epoxide obtained by formal epoxidation across the 2,3-double bond of (6E)-2,6,11-trimethyldodeca-2,6,10-triene It is an epoxide and an olefinic compound.