mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C(O)(=O)CCCCCCCCCF</smiles> is 10-fluoro-capric acid. It is also related to or classified as medium-chain fatty acid . It is also related to or classified as fluoro fatty acid.
The molecule <smiles>[C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCCCCN</smiles> is A branched tetrasaccharide derivative consisting of an alpha-D-mannosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-2 an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and at O-4 a beta-D-galactosyl residue. It is also related to or classified as glycoside . It is also related to or classified as tetrasaccharide derivative.
The molecule <smiles>CC(=O)\C=C\C1C(C)=CCCC1(C)C</smiles> is alpha-ionone. It is also related to or classified as ionone . It is also related to or classified as enone . It is also related to or classified as methyl ketone.
The molecule <smiles>N(CCOP([O-])(=O)[O-])C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O</smiles> is N-arachidonoylethanolamine phosphate(2-). Its functional parent is anandamide. It is also related to or classified as N-acylethanolamine phosphate(2-) . It is also related to or classified as organic molecular entity.
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])OP(=O)([O-])OCC[NH3+])CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC</smiles> is a lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 4'-(2-aminoethyl diphosphate); major species at pH 7.3. It is a conjugate base of a lipid A 4'-(2-aminoethyl diphosphate).
The molecule <smiles>OCC(CC=O)C([O-])=O</smiles> is the conjugate base of 2-(hydroxymethyl)-4-oxobutanoic acid; major species at pH 7.3. It is also related to or classified as 4-oxo monocarboxylic acid anion, hydroxy monocarboxylic acid anion.
The molecule <smiles>O=C(O)[C@@]1(O)[C@@]2(O[C@@](CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@H]1C(=O)O)[C@H]([C@@H]2OC(=O)CCCCCCCCC4=CC=CC=C4)O)C(=O)O</smiles> is F-10863C. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>[C@]1(CC=C(CC1)C)(C2=CCCC2(C)C)C</smiles> is sesquiterpene from Lepista nuda. It is also related to or classified as organic molecular entity.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O</smiles> is trianion of 2-trans,6-trans,10-trans-geranylgeranyl diphosphate. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is also related to or classified as geranylgeranyl diphosphate(3-) . It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O</smiles> is A branched mannopentaose comprised of a linear tetrasaccharide unit of D-mannose residues linked sequentially alpha(1->3), alpha(1->6) and alpha(1->6), to the residue at the reducing end is also linked alpha(1->3) a fifth D-mannose residue. It is also related to or classified as mannopentaose.
The molecule <smiles>C(CCCCO)CCC[C@H]1[C@H](O1)CCCCCCCC(=O)[O-]</smiles> is a 9,10-epoxy-18-hydroxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid. It is an enantiomer of a (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoate.
The molecule <smiles>O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1</smiles> is A proanthocyanidin obtained by the condensation of (-)-epicatechin units. It has the role of antioxidant. It has the role of metabolite. It has the role of angiogenesis modulating agent. It has the role of anti-HIV agent. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, hydroxyflavan.
The molecule <smiles>O(CC1=CC=C(C=C1)C)C(=O)C</smiles> is 4-Methylbenzyl alcohol acetate. Its functional parent is benzyl alcohol. It is also related to or classified as carboxylic ester .
The molecule <smiles>C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O</smiles> is a linear trisaccharide comprising D-glucose (at the reducing end) having an alpha-D-galactosyl-(1->3)-beta-D-galactosyl moiety at the 4-position. It has a role as a carbohydrate allergen.
The molecule <smiles>S1C(=O)C=2C=CC(=C3C2C1=C4C(=C3)C=C[C@H]([C@@H]4OS(=O)(=O)[O-])O)N5[C@H]6C7=C(C=CC=C7)[C@H]8[C@@H](C5)[C@@H]6C(=CC8=O)C</smiles> is major microspecies at pH 7.3. Its functional parent is Sungeidine E. It is also related to or classified as benzazepine . It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>O1[As]2O[As]3O[As]1O[As](O2)O3</smiles> is an arsenic oxide in which arsenic and oxygen atoms are present in the ratio 2:3. It has the role of insecticide. It has the role of antineoplastic agent. It is also related to or classified as arsenic oxide.
The molecule <smiles>CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1C(=O)NC1=CN=C(NC2=CC=CC(NC(=O)CNC(=O)C=C)=C2)N=C1</smiles> is A member of the class of pyrimidines that is pyrimidine substituted by (3-{[N-(prop-2-enoyl)glycyl]amino}phenyl)amino and {2-methyl-5-[3-(trifluoromethyl)benzamido]benzoyl}nitrilo groups at positions 2 and 5, respectively. It is a covalent BTK inhibitor with potential anti-proliferative activity. It exhibits more potent anti-proliferative effects than ibrutinib in multiple cellular and in vivo preclinical models of B-cell lineage malignancy, including tumor cell lines and mouse xenograft models. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is also related to or classified as secondary carboxamide . It is also related to or classified as acrylamides, benzamides, toluenes, aminopyrimidine, secondary amino compound, (trifluoromethyl)benzenes.
The molecule <smiles>O=C1C(=C(OC)CC([C@]1(OC(=O)C(CC)C)C)=O)C</smiles> is Phomaligadione B.  It is also related to or classified as quinone . It is also related to or classified as benzoquinones.
The molecule <smiles>C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)O)[H])C</smiles> is A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of beta-D-glucuronic acid. It has the role of human urinary metabolite. Its functional parent is cholic acid. It is a conjugate acid of cholic acid 24-O-(beta-D-glucuronide)(1-). It is also related to or classified as beta-D-glucosiduronic acid, steroid glucosiduronic acid, O-acyl carbohydrate.
The molecule <smiles>C1=CC=C(C(=C1)C(=O)NCC(=O)[O-])[131I].[Na+]</smiles> is an isotopically modified compound, an organic sodium salt and a sodium 2-iodohippurate. It has a role as a radiopharmaceutical. It derives from a N-benzoylglycine.
The molecule <smiles>Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl</smiles> is A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. It has the role of metabolite. It is also related to or classified as chloroaniline.
The molecule <smiles>CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@@H](CCCCO1)C)[C@H](C)CO)C</smiles> is 1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O</smiles> is A branched mannopentaose comprised of a linear tetrasaccharide unit of D-mannose residues linked sequentially alpha(1->2), alpha(1->6) and alpha(1->6), to the residue at the reducing end is also linked alpha(1->2) a fifth D-mannose residue. It is also related to or classified as mannopentaose.
The molecule <smiles>CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O</smiles> is a flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. It has a role as a human metabolite, an Escherichia coli metabolite, a mouse metabolite, a prosthetic group and a cofactor. It is a conjugate acid of a FAD(3-).
The molecule <smiles>O(CC1=CC=CC=C1)C(=O)CC</smiles> is Benzyl propionate. Its functional parent is benzyl alcohol. It is also related to or classified as carboxylic ester .
The molecule <smiles>CC[NH+](CC)CC.NC1=C(Cl)C(=NC(=N1)C1CC1)C([O-])=O</smiles> is the triethylammonium salt of aminocyclopyrachlor. It has the role of herbicide. It is also related to or classified as organoammonium salt.
The molecule <smiles>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)[C@H](CCC(=O)O)N)O</smiles> is an oligopeptide composed of the tripeptide unit L-alpha-glutamyl-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 <smiles>C1C[C@@H](O[C@@H]1COP(=O)(O)O)O</smiles> is a 2,3-dideoxyribose phosphate that is the 2,3-dideoxy analogue of beta-D-ribofuranose 5-phosphate. It has a role as a Mycoplasma genitalium metabolite.
The molecule <smiles>C1[C@@]2([C@@](C[C@H](O)[C@]2(C(=O)[O-])NC(CS(N)(=O)=O)=O)(C(C(N)=O)=CN1)[H])[H]</smiles> is major microspecies at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as carboxylic acid anion . It is also related to or classified as sulfonamide .
The molecule <smiles>C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A tetrahydroxyflavone that consists of isoorientin substituted by a rhamnosyl moiety at position 2". It has the role of antifeedant. It has the role of plant metabolite. Its functional parent is isoorientin. It is also related to or classified as tetrahydroxyflavone . It is also related to or classified as flavone C-glycoside.
The molecule <smiles>OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O</smiles> is alpha-L-arabinofuranose. It has the role of allergen. It is also related to or classified as L-arabinofuranose .
The molecule <smiles>C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)[H])C</smiles> is A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of chenodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid. It has the role of human urinary metabolite. Its functional parent is chenodeoxycholic acid. It is a conjugate acid of chenodeoxycholic acid 24-O-(beta-D-glucuronide)(1-). It is also related to or classified as beta-D-glucosiduronic acid, steroid glucosiduronic acid, O-acyl carbohydrate.
The molecule <smiles>C/C/1=C/C=C(/CCC2=C[C@@H](C/C(=C/CC1)/C)OC2=O)\\C(=C)C</smiles> is a cembrane diterpenoid isolated from the leaves of Croton gratissimus. It has a role as a metabolite. It is a cembrane diterpenoid, a diterpene lactone and a macrocycle.
The molecule <smiles>[H]C(=O)C(\CC([O-])=O)=C/C=C(\O)C([O-])=O</smiles> is dicarboxylate anion of 5-formyl-2-hydroxyhepta-2,4-dienedioic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)NC3=O)C)=CC=C1</smiles> is 15-De-N-methyl-thaxtomin A. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>COc1ccc(cc1)C(=O)N1CCCC1=O</smiles> is aniracetam.  It is also related to or classified as pyrrolidin-2-ones . It is also related to or classified as N-acylpyrrolidine.
The molecule <smiles>ClC1=C(Cl)C2=C(C=CC=C2)C(=O)O1</smiles> is A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. It has the role of geroprotector. It has the role of serine protease inhibitor. It is also related to or classified as organochlorine compound . It is also related to or classified as isocoumarins.
The molecule <smiles>CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO</smiles> is a pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold). It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a pyridoindole, a hydroxamic acid and a tertiary amino compound.
The molecule <smiles>C1([As](O)O)=CC=C(C=C1)[N+](=O)[O-]</smiles> is major microspecies at pH 7.3. Its functional parent is phenylarsonous acid. It is also related to or classified as C-nitro compound, arsonous acids.
The molecule <smiles>C=1(C(=C(C(=C(C1C)O)C(=O)[O-])C)C)O</smiles> is A dihydroxybenzoate that is the conjugate base of 3,5-dimethylorsellinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate .
The molecule <smiles>CCCCC[C@@H](/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCC(=O)O)OO</smiles> is an N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoic acid. It has a role as a mammalian metabolite. It is a N-acylglycine, a fatty amide and a lipid hydroperoxide. It derives from a 15(S)-HPETE. It is a conjugate acid of a N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]glycinate.
The molecule <smiles>CC(=C)C1CC=C(C)C(=O)C1</smiles> is A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has the role of allergen. It is also related to or classified as carvones, botanical anti-fungal agent.
The molecule <smiles>C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)=O)[H])C</smiles> is A cholanic acid anion that is the conjugate base of 7,12-dioxolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion.
The molecule <smiles>C[C@@]1(CO)OP(O)(=O)OP(O)(=O)OC[C@H]1O</smiles> is 2-C-methyl-D-erythritol 2,4-cyclic diphosphate. It has the role of Escherichia coli metabolite. It is a conjugate acid of 2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-). It is also related to or classified as tetritol phosphate.
The molecule <smiles>O([C@@H]1[C@H](OC2=C(C1)C=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4OCC(O)[C@@H](O)[C@@H]4O</smiles> is anadanthoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C1(=NC=C(C=C1C(=O)[O-])COC)C2=NC([C@@](N2)(C)C(C)C)=O</smiles> is A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-imazamox. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>C1C(NC(=O)N1)C(=O)O</smiles> is this compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. It is an imidazolidinone, a member of ureas and a monocarboxylic acid. It derives from an alpha-amino acid.
The molecule <smiles>COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O</smiles> is conjugate base of biochanin A 7-O-(6-O-malonyl-beta-D-glucoside). It is a conjugate acid of biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-). It is also related to or classified as 3-oxo monocarboxylic acid anion . It is also related to or classified as flavonoid oxoanion.
The molecule <smiles>[H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2</smiles> is A 3beta-sterol consisting of an ergostane skeleton with double bonds at 7- and 22-positions. It has the role of metabolite. It has the role of antifungal agent. It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It has the role of anti-HSV-1 agent. It is also related to or classified as 3beta-sterol .
The molecule <smiles>CC(C)[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2</smiles> is a hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing. It has a role as an EC 3.4.24.24 (gelatinase A) inhibitor, an autophagy inducer, an antineoplastic agent and a melanin synthesis inhibitor. It is a hydroxamic acid and a D-valine derivative.
The molecule <smiles>CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(O)=O</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 2-oxoglutaric acid. Its functional parent is 2-oxoglutaric acid. It is a conjugate acid of 2-oxoglutaryl-CoA(5-). It is also related to or classified as acyl-CoA .
The molecule <smiles>C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)([C@H](C[C@@]4([C@@](CC[C@@]24[H])([H])[C@@H](CO)O)C)O)[H])[H]</smiles> is A C21-steroid that is corticosterone in which the 20-oxo group has been reduced to a hydroxy group. Its functional parent is corticosterone.  It is also related to or classified as 11beta-hydroxy steroid .  It is also related to or classified as 3-oxo-Delta(4) steroid . It is also related to or classified as 21-hydroxy steroid, 20-hydroxy steroid.
The molecule <smiles>C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)O)Br)O</smiles> is an organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups. It has a role as a fluorescent dye. It is an organobromine compound and a polyphenol.
The molecule <smiles>C1c2ccc(Cc3ccc(Cc4ccc(Cc5ccc1[nH]5)[nH]4)[nH]3)[nH]2</smiles> is porphyrinogen.  It is also related to or classified as porphyrinogens . It is also related to or classified as tetrapyrrole fundamental parent, calixpyrrole.
The molecule <smiles>[H]C(=O)CCC(=O)C([O-])=O</smiles> is the conjugate base of 2,5-dioxopentanoic acid; major species at pH 7.3. It is also related to or classified as dioxo monocarboxylic acid anion.
The molecule <smiles>[NH3+]CCS</smiles> is an ammonium ion that is the conjugate acid of cysteamine; major species at pH 7.3. It has the role of human metabolite. It is a conjugate acid of cysteamine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>C(O)(=O)CCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is tricosanedioic acid. It is also related to or classified as very long-chain fatty acid .
The molecule <smiles>CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\\CCCC(=O)[O-])OO2)O</smiles> is conjugate base of prostaglandin H2. It has a role as a human metabolite. It is a prostaglandin carboxylic acid anion and an oxylipin anion. It is a conjugate base of a prostaglandin H2.
The molecule <smiles>O=C1N2C(C(=O)OC(/C(=C/C(C(O)C)C)/C)CC=C(C(O)C(CC(C=C(C(CC(CC(C(C(CC3OC(C1=O)(O)C(CC3)C)O)C)O)O)O)C)C)C)CC)CCCC2</smiles> is Meridamycin. It is also related to or classified as lactam . It is also related to or classified as macrolide .
The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C</smiles> is N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>O=C(CCCCCC)CCCC(O)=O</smiles> is 4-heptanoyl butyric acid. It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>CC1(C)C2CCC1(C)OC(=O)C2</smiles> is A delta-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively. It has the role of plant metabolite. It is also related to or classified as delta-lactone .
The molecule <smiles>CC\C(CC[C@H]1O[C@@]1(C)CC)=C/CC\C(C)=C\C(=O)OC</smiles> is A member of the juvenile hormone family of compounds that is the methyl ester of methyl (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecanoic acid.  It is also related to or classified as epoxide . It is also related to or classified as fatty acid methyl ester . It is also related to or classified as enoate ester . It is also related to or classified as juvenile hormone.
The molecule <smiles>C1COC2=CC=CC=C2C1C3=CC=CC=C3</smiles> is the simplest member of the class of neoflavans, that is 3,4-dihydro-2H-1-benzopyran substituted by a phenyl group at position 4.
The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=C(ON=C3C)C</smiles> is 1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC/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</smiles> is a 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA.
The molecule <smiles>COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2F)N)Cl)C(=O)O)Cl</smiles> is a pyridinemonocarboxylic acid that is picolinic acid which is substituted at positions 3, 4, 5, and 6 by chlorine, amino, fluorine, and 4-chloro-2-fluoro-3-methoxyphenyl groups, respectively. An auxin herbicide developed by Dow AgroSciences and sold as the corresponding benzyl ester, florpyrauxifen-benzyl. It has a role as a herbicide and a synthetic auxin. It is a pyridinemonocarboxylic acid, an aminopyridine, a biaryl, a member of monochlorobenzenes, a member of monofluorobenzenes and an aromatic ether.
The molecule <smiles>Oc1ccc(C([O-])=O)c(C([O-])=O)c1O</smiles> is dicarboxylate anion of 3,4-dihydroxyphthalic acid; major species at pH 7.3. Its functional parent is phthalate(2-). It is also related to or classified as dicarboxylic acid dianion .
The molecule <smiles>O=C(OC)CCCCCC(CCC/C=C/CC)=O</smiles> is formyl 7-oxo-11E-tetradecenoate. It is also related to or classified as fatty acid methyl ester .