mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A branched amino pentasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, two D-glucose residues and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate, amino pentasaccharide.
The molecule <smiles>C[NH+](C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> is an organic cation that is the conjugate acid of terbinafine, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of terbinafine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown. It is also related to or classified as oligosaccharide phosphate, amino tetrasaccharide.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC</smiles> is A lipopeptide consisting of the methyl ester of a D-Phe-N-Me-L-Val-L-Ile-L-Phe-L-Ala hexapeptide, to the nitrogen of the D-phenylalanine residue of which is linked a C20 (icosanoyl) fatty-acyl chain. It is a major cell wall lipopeptide of Mycobacterium avium ssp. paratuberculosis (MAP), the causative agent of Johne's disease in cattle and other ruminants. It has the role of antigen. It is also related to or classified as methyl ester . It is also related to or classified as lipopeptide.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO</smiles> is A branched amino tetrasaccharide comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues, with linkages as shown. It is also related to or classified as amino tetrasaccharide.
The molecule <smiles>Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12</smiles> is A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride. It has the role of P450 inhibitor. It has the role of EC 1.14.13.132 (squalene monooxygenase) inhibitor. It is also related to or classified as hydrochloride, allylamine antifungal drug.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(O)=O</smiles> is A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as oleoyl. Its functional parent is oleic acid. It is a conjugate acid of 2-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 2-acyl-sn-glycero-3-phosphate .
The molecule <smiles>CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C([O-])=O)C(=O)OCC</smiles> is A monocarboxylic acid anion that is the conjugate base of perindopril, obtained by deprotonation of the hydroxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and stearoyl. Its functional parent is octadecanoic acid. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(O)=O.CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(=O)OCC</smiles> is an organoammonium salt obtained by combining perindopril with one molar equivalent of L-arginine. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It has the role of antihypertensive agent. It is also related to or classified as organoammonium salt.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](CO)OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate, amino tetrasaccharide.
The molecule <smiles>Oc1ccc(\C=C\C(=O)c2c(O)cc(O)cc2[O-])cc1</smiles> is A phenolate anion that is the conjugate base of 2',4,4',6'-tetrahydroxychalcone, obtained by deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3. It has the role of metabolite. It has the role of anti-allergic agent. It has the role of anti-inflammatory agent. It is also related to or classified as 2-acyl-4-prenylphloroglucinol(1-) . It is also related to or classified as 2',4,4',6'-tetrahydroxychalcone . It is also related to or classified as phenolate anion.
The molecule <smiles>CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(O)=O</smiles> is A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. It is also related to or classified as monocarboxylic acid, aromatic ether.
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol . It is also related to or classified as decanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and palmitoyl. Its functional parent is hexadecanoic acid. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryloyl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol . It is also related to or classified as octanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as stearoyl. Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is also related to or classified as triacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and myristoyl. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and lauroyl. Its functional parent is hexadecanoic acid. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as myristoyl. Its functional parent is oleic acid. It is also related to or classified as triacyl-sn-glycerol . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>Clc1ccc2c(c1)nnc1nnnn21</smiles> is an organic heterotricyclic compound that is tetrazolo[5,1-c][1,2,4]benzotriazine substituted at position 7 by a chloro group. An antifungal and chemosensitising agent that induces oxidative stress in yeast and filamentous fungi and enhances the cytotoxic activity of 5-fluorocytosine and azole antimycotics. It has the role of antifungal agent.  It is also related to or classified as organochlorine compound . It is also related to or classified as organic heterotricyclic compound.
The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as lauroyl. Its functional parent is oleic acid. Its functional parent is dodecanoic acid. It is also related to or classified as triacyl-sn-glycerol . It is also related to or classified as dodecanoate ester .
The molecule <smiles>CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3</smiles> is A 3beta-sterol consisting of an ergostane skeleton with double bonds at positions 8(9) and 22. It is also related to or classified as 3beta-sterol . It is also related to or classified as ergostanoid.
The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@H](CO)OP(O)(=O)OCCN)[C@@H](O)[C@@H]1OP(O)(=O)OCCN</smiles> is A branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3 and O-6), with linkages as shown. It is also related to or classified as oligosaccharide phosphate, amino tetrasaccharide.
The molecule <smiles>CCCC(S)CCO</smiles> is an alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively. It has the role of flavouring agent. It has the role of Saccharomyces cerevisiae metabolite. It has the role of plant metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as alkanethiol .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specifed as linoleoyl. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is also related to or classified as 1,2-diacyl-3-linoleoylglycerol . It is also related to or classified as triacyl-sn-glycerol . It is also related to or classified as linoleoyl containing 1,2,3-triacyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(C)=O</smiles> is A 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and linoleoyl. Its functional parent is linoleic acid. Its functional parent is 1-O-palmityl-2-acetyl-sn-glycerol. It is also related to or classified as 1-alkyl-2-acetyl-3-acyl-sn-glycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1-acyl-2-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups at positions 1 and 2 are specified respectively as arachidonoyl and palmityl. It is also related to or classified as arachidonic acid . It is also related to or classified as 1-acyl-2-alkyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CC[C@H](CO)\C=C(\C)[C@H]1C[C@@H](C[C@@H](O)C(C)(C)[C@]2(O)O[C@@H](C[C@H](OC)[C@@H]2O)C[C@H](OC)[C@@H](O)C(=O)O1)OC</smiles> is A macrolide that is a novel secondary metabolite isolated from a New Zealand marine sponge, Mycale hentscheli. It has the role of antineoplastic agent. It has the role of microtubule-stabilising agent. It has the role of antimitotic. It has the role of marine metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as macrolide . It is also related to or classified as ether .  It is also related to or classified as secondary alcohol . It is also related to or classified as organic heterobicyclic compound, cyclic hemiketal.
The molecule <smiles>Clc1ccc(CO\N=C(/Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> is an imidazolium ion resulting from the protonation of the imidazole ring of oxiconazole. It is a conjugate acid of oxiconazole. It is also related to or classified as imidazolium ion.
The molecule <smiles>C[N+]([O-])=O</smiles> is A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. It has the role of NMR chemical shift reference compound. It has the role of polar aprotic solvent. It has the role of explosive. It has the role of EC 4.3.1.3 (histidine ammonia-lyase) inhibitor. It is also related to or classified as primary nitroalkane . It is also related to or classified as volatile organic compound.
The molecule <smiles>CC(=O)N[C@@H](C(O)=O)C(C)(C)SN=O</smiles> is A nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group. It has the role of vasodilator agent. It has the role of nitric oxide donor. Its functional parent is N-acetyl-D-penicillamine. It is also related to or classified as nitrosothio compound . It is also related to or classified as nitroso compound.
The molecule <smiles>COC=O</smiles> is A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. It has the role of insecticide. It has the role of fumigant. It has the role of polar aprotic solvent. It has the role of refrigerant. Its functional parent is methanol.  It is also related to or classified as methyl ester . It is also related to or classified as volatile organic compound, formate ester.
The molecule <smiles>CCN(CC)N(O)N=O</smiles> is A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two ethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. It has the role of nitric oxide donor. It is a conjugate acid of NONOate(1-). It is also related to or classified as nitroso compound, tertiary amino compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at position 1 and 2 are specified as arachidonoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is arachidonic acid. It is also related to or classified as phosphatidylcholine (20:4/16:0) . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine .
The molecule <smiles>Cc1cc(c(O)c(C)c1CC1=[NH+]CCN1)C(C)(C)C</smiles> is A carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3. It is a conjugate acid of oxymetazoline. It is also related to or classified as carboxamidinium ion.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups positions 1 and 2 are specified as octadecanoyl and (9Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is linoleic acid. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 36:2 .
The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-capryl-sn-glycero-3-phosphate. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-) .
The molecule <smiles>CCN(CC)N([O-])N=O</smiles> is an organic anion that is the conjugate base of 1,1-diethyl-2-hydroxy-3-oxotriazane, obtained by deprotonation of the N-hydroxy group. It is also related to or classified as organic anion.
The molecule <smiles>[Na+].O[As](O)([O-])=O</smiles> is an inorganic sodium salt that is the monosodium salt of arsenic acid. It has the role of carcinogenic agent. It is also related to or classified as inorganic sodium salt.
The molecule <smiles>C(CCCCCC)CCC(=O)OC[C@H](COP(O)(=O)O)O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl. It is a conjugate acid of 1-decanoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate . It is also related to or classified as decanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCO[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 2-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as hexadecyl. It is also related to or classified as 2-alkyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide. It has the role of antineoplastic agent. It has the role of Sir2 inhibitor. It has the role of p53 activator. It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as tertiary amino compound, thioureas.
The molecule <smiles>Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> is an oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections. It has the role of antiinfective agent. It is also related to or classified as dichlorobenzene . It is also related to or classified as oxime O-ether . It is also related to or classified as imidazole antifungal drug, conazole antifungal drug, imidazoles.
The molecule <smiles>COC(C)=O</smiles> is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has the role of fragrance. It has the role of polar aprotic solvent. It has the role of EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor.  It is also related to or classified as methyl ester . It is also related to or classified as acetate ester . It is also related to or classified as volatile organic compound.
The molecule <smiles>Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C</smiles> is A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. It has the role of sympathomimetic agent. It has the role of alpha-adrenergic agonist. It has the role of vasoconstrictor agent. It has the role of nasal decongestant. It is also related to or classified as phenols . It is also related to or classified as carboxamidine . It is also related to or classified as imidazolines.
The molecule <smiles>CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4CC[C@@H]([C@H](C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C\[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1</smiles> is A  macrolide antibiotic that was originally isolated from the culture broths of Streptomyces hygroscopicus var. ossamyceticus. It has the role of antineoplastic agent. It has the role of bacterial metabolite.  It is also related to or classified as tertiary alcohol . It is also related to or classified as secondary alcohol . It is also related to or classified as macrolide antibiotic, organic heterotetracyclic compound, cyclic hemiketal, spiroketal.
The molecule <smiles>CCNCC.CCN(CC)N(O)N=O</smiles> is an organoammonium salt that is the diethylammonium salt of 1,1-diethyl-2-hydroxy-3-oxotriazane. It has the role of nitric oxide donor. It is also related to or classified as organoammonium salt.
The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as capryl (decanoyl). It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine . It is also related to or classified as decanoate ester .
The molecule <smiles>COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O</smiles> is A 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is formononetin. It is also related to or classified as 4'-methoxyisoflavones . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>N#CC(C1=CC=C(OC)C(OC)=C1)(CCC[NH+](C)CCC2=CC=C(OC)C(OC)=C2)C(C)C</smiles> is an ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil. It is a conjugate acid of (S)-verapamil. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>[Cd++].[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> is an inorganic nitrate salt having Cd(2+) as the counterion. It has the role of genotoxin. It has the role of carcinogenic agent. It has the role of hepatotoxic agent. It is also related to or classified as cadmium salt, inorganic nitrate salt.
The molecule <smiles>COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</smiles> is A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is also related to or classified as nitrile .  It is also related to or classified as polyether . It is also related to or classified as aromatic ether, tertiary amino compound.
The molecule <smiles>CCCCCCC\C=C\C(CCCCCCCC(O)=O)OO</smiles> is A hydroperoxy fatty acid that is 9-hydroperoxy derivative of (10E)-octadecenoic acid. Its functional parent is oleic acid. It is a conjugate acid of 9-hydroperoxy-10E-octadecenoate. It is also related to or classified as hydroperoxyoctadecenoic acid.