mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCC[C@@H]1C[C@H]1CCCCCCCCCC</smiles> is A glycosylceramide in which the glycosyl moiety is alpha-D-galactose and the ceramide is N-(hexacosanoyl)-11,12-methylene-C22-sphinganine. It is also related to or classified as cerebroside, galactolipid, glycosylceramide.
The molecule <smiles>CN1CSC(=S)N(C)C1</smiles> is A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide. It has the role of herbicide. It has the role of nematicide. It has the role of antibacterial agent. It has the role of antifungal agrochemical. It is also related to or classified as dithiocarbamic ester, thiadiazinane.
The molecule <smiles>[O-][V](=O)=O</smiles> is A vanadium oxoanion in which a central vanadium is divalently bound to two oxygens and monovalently bound to a hydroxide. It is also related to or classified as vanadium oxoanion.
The molecule <smiles>[Na+].[O-]B=O</smiles> is an inorganic sodium salt having metaborate as the counterion. It is also related to or classified as inorganic sodium salt, borate salts.
The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CC\C=C/CCCCC1CC1CCCCCCCCCC</smiles> is A D-galactosyl-N-acylphytosphingosine in which the galactosyl group has alpha-anomeric configuration and the acyl group on nitrogen is (4Z)-9-(2-decylcyclopropyl)non-4-enoyl. It is also related to or classified as D-galactosyl-N-acylphytosphingosine.
The molecule <smiles>CCCCC\C=C/C[C@@H]1O[C@H]1\C=C\[C@H](O)C\C=C/CCCC([O-])=O</smiles> is an epoxy(hydroxy)icosatrienoate that is the conjugate base of (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate.
The molecule <smiles>[Na+].[O-]I(=O)(=O)=O</smiles> is an inorganic sodium salt having periodate as the counterion. It has the role of oxidising agent. It is also related to or classified as inorganic sodium salt.
The molecule <smiles>CCCCC\C=C/C[C@H]1O[C@@H]1\C=C\[C@H](O)C\C=C/CCCC([O-])=O</smiles> is an epoxy(hydroxy)icosatrienoate that is the conjugate base of (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and acetyl respectively. Its functional parent is acetic acid. Its functional parent is octadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine .
The molecule <smiles>[Na+].CC(O)C([O-])=O</smiles> is an organic sodium salt having lactate as the counterion. It has the role of food acidity regulator. It has the role of food preservative. It is also related to or classified as lactate salt, organic sodium salt.
The molecule <smiles>[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(=O)CC)C(O)=O)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(=O)CC)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligosaccharide derivative consisting of ten alpha-D-N-propionylneuraminyl residues joined by (2->8) linkages. It is also related to or classified as oligosaccharide derivative.
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine O-38:4 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. Its functional parent is 1-O-octadecyl-sn-glycero-3-phosphocholine. It is also related to or classified as 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-38:4 .
The molecule <smiles>[Na+].[O-]Br(=O)=O</smiles> is an inorganic sodium salt having bromate as the counterion. It has the role of nephrotoxic agent. It has the role of oxidising agent. It is also related to or classified as bromate salt, inorganic sodium salt.
The molecule <smiles>CCCCC[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/C\C=C/CCCC([O-])=O</smiles> is an epoxy(hydroxy)icosatrienoate that is the conjugate base of (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate.
The molecule <smiles>[K+].[K+].[O-][Cr]([O-])(=O)=O</smiles> is A potassium salt consisting of potassium and chromate ions in a 2:1 ratio. It has the role of NMR chemical shift reference compound. It has the role of carcinogenic agent. It has the role of oxidising agent. It is also related to or classified as potassium salt.
The molecule <smiles>CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1c(nc5cc(C)ccn15)c4c3C2=O</smiles> is A semisynthetic member of the class of rifamycins and non-systemic gastrointestinal site-specific broad spectrum antibiotic. Used in the treatment of traveller's diarrhoea, hepatic encephalopathy and irritable bowel syndrome. It has the role of antimicrobial agent. It has the role of gastrointestinal drug. It has the role of orphan drug.  It is also related to or classified as acetate ester .    It is also related to or classified as lactam . It is also related to or classified as macrocycle . It is also related to or classified as rifamycins, organic heterohexacyclic compound, cyclic ketal, semisynthetic derivative.
The molecule <smiles>CC(C)=CCC\C(C)=C\CCC(C)(OP(O)(=O)OP(O)(O)=O)C=C</smiles> is nerolidyl diphosphate. Its functional parent is nerolidol. It is also related to or classified as polyprenyl diphosphate.
The molecule <smiles>CCCCC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/CCCC([O-])=O</smiles> is an epoxy(hydroxy)icosatrienoate that is the conjugate base of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate.
The molecule <smiles>[K+].[K+].[O-][Te]([O-])=O</smiles> is A potassium salt consisting of potassium and tellurite ions in a 2:1 ratio. It is also related to or classified as potassium salt.
The molecule <smiles>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(O)=O.[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C</smiles> is A penicillinate salt obtained by combining equimolar amounts of  phenoxymethylpenicillin and pipacycline. It has the role of antimicrobial agent. It is also related to or classified as penicillinate salt.
The molecule <smiles>CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCNCC1</smiles> is A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid substituted at position 2 by a piperazin-1-yl group and at position 8 by an ethyl group. A synthetic broad-spectrum antibacterial, it is used for treatment of gastrointestinal, biliary, and urinary infections. It has the role of antibacterial drug. It has the role of DNA synthesis inhibitor.   It is also related to or classified as pyridopyrimidine . It is also related to or classified as monocarboxylic acid, amino acid, N-arylpiperazine, quinolone antibiotic.
The molecule <smiles>O=[As]c1ccccc1</smiles> is an arsine oxide derived from phenylarsine. It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It is also related to or classified as arsine oxides.
The molecule <smiles>[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C</smiles> is tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. It has the role of antimicrobial agent. It is also related to or classified as tertiary alpha-hydroxy ketone . It is also related to or classified as tetracyclines, N-alkylpiperazine.
The molecule <smiles>OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1</smiles> is A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group. It has the role of antiparkinson drug. It has the role of muscle relaxant.  It is also related to or classified as tertiary alcohol . It is also related to or classified as piperidines.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol). It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) .
The molecule <smiles>O=C1CCc2c(O1)ccc1ccccc21</smiles> is A benzochromenone that is 2,3-dihydro-1H-benzo[f]chromene substituted by an oxo group at position 3. It has been found to exhibit potential inhibitory activity against Sir2 proteins. It has the role of platelet aggregation inhibitor. It has the role of Sir2 inhibitor.  It is also related to or classified as delta-lactone . It is also related to or classified as naphtho-alpha-pyrone, benzochromenone.
The molecule <smiles>Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1</smiles> is an organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-amino-2-methylpyrimidin-5-ylmethyl] group. An antineoplastic agent especially effective against malignant brain tumors. It has the role of alkylating agent. It has the role of antineoplastic agent. It is also related to or classified as organochlorine compound . It is also related to or classified as aminopyrimidine, N-nitrosoureas.
The molecule <smiles>[H+].[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C</smiles> is an organic cation that is the conjugate acid of pipacycline. It is a conjugate acid of pipacycline. It is also related to or classified as organic cation.
The molecule <smiles>C1=[NH+]C(=NC(=C1CNC(=O)N(N=O)CCCl)N)C</smiles> is an organic cation that is the conjugate acid of nimustine. It is a conjugate acid of nimustine. It is also related to or classified as organic cation.
The molecule <smiles>CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of tetradecyl sulfonic acid, obtained by deprotonation of the O-sulfo group. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>[H][C@]12COC(=O)[C@@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O</smiles> is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. It has the role of antineoplastic agent. It has the role of tyrosine kinase inhibitor. It has the role of insulin-like growth factor receptor 1 antagonist. It has the role of plant metabolite. It is also related to or classified as lignan . It is also related to or classified as furonaphthodioxole . It is also related to or classified as organic heterotetracyclic compound.
The molecule <smiles>CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O</smiles> is an alkyl sulfate that is the mono-7-ethyl-2-methylundecan-4-yl ester of sulfuric acid. It is a conjugate acid of tetradecyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>[Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC</smiles> is an organic chloride salt having methyltrioctylammonium as the cation. It has the role of phase-transfer catalyst. It is also related to or classified as quaternary ammonium salt, organic chloride salt.
The molecule <smiles>[Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O</smiles> is an organic sodium salt having tetradecyl sulfate as the counterion. Used in the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves. It has the role of detergent. It has the role of sclerotherapy agent. It is also related to or classified as organic sodium salt.
The molecule <smiles>C[C@H](Oc1ccc(Cl)cc1C)C([O-])=O</smiles> is A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>C[C@@H](Oc1ccc(Cl)cc1C)C([O-])=O</smiles> is A monocarboxylic acid anion that is the conjugate base of (R)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.S(O)(O)(=O)=O.[C@@H]1([C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]2OC(=CC[C@H]2N)CN)N)NCC)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O</smiles> is netilmicin sulfate. Its functional parent is netilmycin. It is also related to or classified as aminoglycoside sulfate salt.
The molecule <smiles>CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phospholipid that is the hexadecyl monoester of phosphocholine. It has the role of anticoronaviral agent. It has the role of antineoplastic agent. It has the role of antifungal agent. It has the role of antiprotozoal drug. It has the role of protein kinase inhibitor. It has the role of immunomodulator. It has the role of anti-inflammatory agent. It has the role of apoptosis inducer. It is also related to or classified as phospholipid . It is also related to or classified as phosphocholines.
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC</smiles> is A  2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaine where the alkyl and the acyl groups at position 1 and 2 are octadecyl and palmitoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is 1-O-octadecyl-sn-glycero-3-phosphocholine. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine .
The molecule <smiles>OC(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(O)=O</smiles> is A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. Its functional parent is phthalimide. It is also related to or classified as phthalimides . It is also related to or classified as L-glutamic acid derivative.
The molecule <smiles>CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O</smiles> is netilmycin. Its functional parent is streptamine.   It is also related to or classified as beta-L-arabinoside . It is also related to or classified as amino cyclitol glycoside, aminoglycoside antibiotic, monosaccharide derivative.
The molecule <smiles>C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC</smiles> is A phosphatidylcholine 36:0 where the acyl substituents at positions 1 and 2 are icosanoyl and palmitoyl respectively. Its functional parent is icosanoic acid. Its functional parent is 1-icosanoyl-sn-glycero-3-phosphocholine. It is also related to or classified as phosphatidylcholine 36:0 . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC</smiles> is A phosphatidylcholine 26:0 in which the two acyl substituents at positions 1 and 2 are palmitoyl and decanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine. It is also related to or classified as phosphatidylcholine 26:0 . It is also related to or classified as decanoate ester .
The molecule <smiles>OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A disaccharide consisting alpha-D-galactosyl and D-gluconic acid residues joined by a (1->6)-linkage. Its functional parent is melibiose.  It is also related to or classified as disaccharide . It is also related to or classified as carbohydrate acid.
The molecule <smiles>C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (R)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> is an androstanoid that is  testosterone with an oxo group at position 19. It has the role of androgen. Its functional parent is testosterone.  It is also related to or classified as 17beta-hydroxy steroid . It is also related to or classified as 3-oxo steroid . It is also related to or classified as steroid aldehyde, androstanoid.
The molecule <smiles>CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O</smiles> is A member of the class of  acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits  anti-asthmatic activity. It has the role of leukotriene antagonist. It has the role of anti-asthmatic drug.  It is also related to or classified as phenols . It is also related to or classified as acetophenones, aromatic ether, tetrazoles.
The molecule <smiles>[H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)CO</smiles> is A branched amino hexasaccharide corresponding to the core oligosaccharide of the Gram negative bacterium Francisella tularensis. It is also related to or classified as amino hexasaccharide.
The molecule <smiles>CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC</smiles> is A quaternary ammonium ion with three octyl groups and one methyl group attached to the nitrogen. It is also related to or classified as quaternary ammonium ion .
The molecule <smiles>O=c1[nH]c2ccccc2c2ccccc12</smiles> is A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. It has the role of mutagen. It has the role of immunosuppressive agent. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is also related to or classified as lactam . It is also related to or classified as phenanthridines.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles> is A phosphatidylcholine 30:0 in which the phosphatidyl acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and myristoyl (tetradecanoyl) respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine. It is also related to or classified as phosphatidylcholine 30:0 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H]1O</smiles> is an amino disaccharide consisting of alpha- and beta-D-kanosaminyl residues joined by a (1<->1)-linkage. It has the role of metabolite. It has the role of antimicrobial agent. It is also related to or classified as amino disaccharide, glycosyl glycoside derivative.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and hexanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine . It is also related to or classified as hexanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC</smiles> is A  phosphatidylcholine 24:0 where the acyl groups at position 1 and 2 are palmitoyl and capryloyl respectively. Its functional parent is hexadecanoic acid. It is also related to or classified as phosphatidylcholine 24:0 . It is also related to or classified as octanoate ester .
The molecule <smiles>[H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O</smiles> is A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively. It has the role of metabolite. It is also related to or classified as organochlorine compound . It is also related to or classified as muconic semialdehyde, alpha,beta-unsaturated monocarboxylic acid, non-proteinogenic alpha-amino acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of 8-KETE, obtained by deprotonation of the carboxy group.  It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as oxo-ETE anion, oxo fatty acid anion, polyunsaturated fatty acid anion.
The molecule <smiles>c1ccc2[nH]nnc2c1</smiles> is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as benzotriazoles.
The molecule <smiles>C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentadecanoic acid. Its functional parent is nonadecanoic acid. It is a conjugate acid of nonadecanoyl-CoA(4-). It is also related to or classified as saturated fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as 11,12-saturated fatty acyl-CoA .
The molecule <smiles>Clc1ccc(c(Cl)c1)C(=O)n1cnc2ccccc12</smiles> is A member of the class of  benzamides obtained by the formal condensation of 1H-benzimidazole and  2,4-dichlorobenzoic acid. Its functional parent is 2,4-dichlorobenzoic acid. Its functional parent is 1H-benzimidazole.   It is also related to or classified as dichlorobenzene . It is also related to or classified as benzamides, benzimidazoles.
The molecule <smiles>Clc1ccc(c(Cl)c1)C(=O)n1nnc2ccccc12</smiles> is A member of the class of  benzamides that is obtained by the formal condensation of  2,4-dichlorobenzoic acid and  benzotriazole. It acts as an inhibitor for tubulin acetylation mediated by trichostatin A. It has the role of inhibitor. Its functional parent is 2,4-dichlorobenzoic acid. Its functional parent is benzotriazole.  It is also related to or classified as dichlorobenzene . It is also related to or classified as benzamides, benzotriazoles.